Approximations for Spherical Harmonics Radiative Transfer in Thermal Emission

In Rooney et al 2023 we rigorously derive the spherical harmonics method for thermal emission and benchmark the 2-term and 4-term method (SH4) against Toon et al. 1989 and CDISORT. Here, we provide the code to reproduce the analysis that compares Toon89 with the higher fidelity 4-term spherical harmonics method for thermal emission spectroscopy.

Note that all comparisons with CDISORT are precomputed following Rooney et al’s calculations, which used V1 opacities.

[1]:
import numpy as np
import pandas as pd
import astropy.units as u

#picaso
from picaso import justdoit as jdi
from picaso import justplotit as jpi

jpi.output_notebook()
Loading BokehJS ...

Setting up Brown Dwarf Comparison

Within the PICASO repository there exists a simple benchmark brown dwarf case that we used in the paper to compare the code. We will start by setting that up.

[2]:
wave_range = [.7,14]
opa = jdi.opannection(wave_range=wave_range)#, resample=100)
bd = jdi.inputs(calculation='browndwarf')

bd.phase_angle(0)
grav = 200
bd.gravity(gravity=grav , gravity_unit=u.Unit('m/s**2'))
bd.surface_reflect(0,opa.wno)

#brown dwarf PT and CLD provide a pressure-temperature profile and cloud profile
#from a standard brown dwarf case with Teff~1270 K and fsed = 1 courtesy of C. Morley @ UT Austin
bd.atmosphere(filename=jdi.brown_dwarf_pt(), delim_whitespace=True)
bd.clouds(filename=jdi.brown_dwarf_cld(), delim_whitespace=True)

/home/nbatalh1/codes/picaso/picaso/justdoit.py:1742: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\s+'`` instead
  df = pd.read_csv(filename, **pd_kwargs)
/home/nbatalh1/codes/picaso/picaso/justdoit.py:2936: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\s+'`` instead
  df = pd.read_csv(filename, **pd_kwargs)

Using the jdi.approx function to setup different test cases

Similar to the reflected light problem, we can use the approx key to setup different methods of computing the thermal radiative transfer

[3]:
dfs = []; labels = [];
# PICASO Original Methodology using Toon source function technique
dfs += [bd.spectrum(opa, full_output=True,
                    calculation='thermal')
       ]; labels += ["PICASO Toon89"]

# 2-term Spherical harmonics
bd.approx(rt_method = 'SH', stream=2)
two_lin = bd.spectrum(opa, full_output=True,
                      calculation='thermal')
dfs += [two_lin]; labels += ["SH2"]

# 4-term Spherical Harmonics
bd.approx(rt_method = 'SH', stream=4)
four_lin = bd.spectrum(opa, full_output=True,
                       calculation='thermal')
dfs += [four_lin]; labels += ["SH4"]

/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)

Simple regridding and plotting, as we normally do

[4]:
xs = []; ys = []; labs = [];
for df, i in zip(dfs, range(len(dfs))):
    x,y = df['wavenumber'], df['thermal'] #units of erg/cm2/s/cm
    xflux,yflux = jdi.mean_regrid(x, y, R=150)
    xs += [xflux]
    ys += [yflux]
    labs += [labels[i]]

External Testing with CDISROT for Validation

Reproduction of Figure 2b, Rooney et al.

In Rooney et al., we tested PICASO against a higher order code, CDISORT. Here is a code snippet to grab it from the code base

[5]:
# # read in my disort profile
disort_output = jdi.os.path.join(jdi.__refdata__, 'base_cases','testing','cdisort_output_1270_cloudy.spec')
son = pd.read_csv(disort_output,
                    delim_whitespace=True, skiprows=2,header=None,names=['1','2','3'])
sonx, sony, flx =  np.array(1e4/son['1']), np.array(son['2']), np.array(son['3'])
sonx_,sony_ = jdi.mean_regrid(sonx, sony*1e1, newx=xs[0])
xs += [sonx_]; ys += [sony_]; labs += ['DISORT16']

/tmp/ipykernel_107249/1578709209.py:3: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\s+'`` instead
  son = pd.read_csv(disort_output,
[6]:
fig = jpi.spectrum(xs,ys,legend=labs
                  ,plot_width=800,x_range=wave_range,x_axis_type='log')
jpi.show(fig)

Setting up Jupiter-like Case

Within the PICASO repository there exists a simple benchmark code jupiter-like case that we used in the paper to compare the code. We will start by setting that up.

[7]:
wave_range = [5,14]
opa = jdi.opannection(wave_range=wave_range)#, resample=100)
planet = jdi.inputs()

planet.phase_angle(0)
grav = 25
planet.gravity(gravity=grav , gravity_unit=u.Unit('m/s**2'))
# bd.surface_reflect(0,opa.wno)
planet.star(opa, 5000,0,4.0) #opacity db, pysynphot database, temp, metallicity, logg

planet.atmosphere(filename= jdi.jupiter_pt(), delim_whitespace=True)

planet.clouds( filename= jdi.jupiter_cld(), delim_whitespace=True)

/home/nbatalh1/codes/picaso/picaso/justdoit.py:1742: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\s+'`` instead
  df = pd.read_csv(filename, **pd_kwargs)
/home/nbatalh1/codes/picaso/picaso/justdoit.py:2936: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\s+'`` instead
  df = pd.read_csv(filename, **pd_kwargs)

Using the jdi.approx function to setup different test cases

Similar to the reflected light problem, we can use the approx key to setup different methods of computing the thermal radiative transfer

[8]:
dfs = []; labels = [];
# PICASO
dfs += [planet.spectrum(opa, full_output=True, calculation='thermal')
                        ]; labels += ["PICASO"]

# 2-stream
planet.approx(rt_method = 'SH', stream=2)
two_lin = planet.spectrum(opa, full_output=True, calculation='thermal')
dfs += [two_lin]; labels += ["SH2"]

# 4-stream
planet.approx(rt_method = 'SH', stream=4)
four_lin = planet.spectrum(opa, full_output=True, calculation='thermal')
dfs += [four_lin]; labels += ["SH4"]
[9]:
xs = []; ys = []; labs = [];
for df, i in zip(dfs, range(len(dfs))):
    x,y = df['wavenumber'], df['thermal'] #units of erg/cm2/s/cm
    xflux,yflux = jdi.mean_regrid(x, y, R=150)
    xs += [xflux]
    ys += [yflux]
    labs += [labels[i]]

External Testing with CDISROT for Validation

Reproduction of Figure bb, Rooney et al.

In Rooney et al., we tested PICASO against a higher order code, CDISORT. Here is a code snippet to grab it from the code base

[10]:
# # read in my disort profile
disort_output = jdi.os.path.join(jdi.__refdata__, 'base_cases','testing','cdisort_output_jupiter_cloudy.spec')
son = pd.read_csv(disort_output,
                    delim_whitespace=True, skiprows=2,header=None,names=['1','2','3'])
sonx, sony, flx =  np.array(1e4/son['1']), np.array(son['2']), np.array(son['3'])
sonx_,sony_ = jdi.mean_regrid(sonx, sony*1e1, newx=xs[0])
xs += [sonx_]; ys += [sony_]; labs += ['DISORT16']
/tmp/ipykernel_107249/3348547385.py:3: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\s+'`` instead
  son = pd.read_csv(disort_output,
[11]:
fig = jpi.spectrum(xs,ys,legend=labs
                  ,plot_width=800,x_range=wave_range,x_axis_type='log')
jpi.show(fig)

We can directly compare all of them. Interestingly enough, this figure shows better agreement between the methods (compared to the Brown Dwarf case). As we explain in Rooney, this is because the Toon89 methodology is better suited for scattering regimes in the limit of single scattering -> 1 and -> 0. We will explore this further below.

Dependence of Radiative Transfer Method on Scattering Parameters

As we alluded to above, there is a large accuracy dependence on single scattering and on single scattering and asymmetry. We can run PICASO Toon89 methodology, along with SH2 and SH4 and compare with a precomputed cdisort 32-stream calculation.

For this we will use a pre-built test function included in picaso.test (this will take some time as it is computing many radiative transfer calculations.

[12]:
import picaso.test as ptest
[13]:
# Toon quadrature
Toon_quad = ptest.thermal_sh_test(method="toon",
                                  tau=0.2)
# SH 2-term
SH2 = ptest.thermal_sh_test(method="SH",
                            stream=2, tau=0.2)

# SH 4-term
SH4 = ptest.thermal_sh_test(method='SH',
                            stream=4, tau=0.2)
/home/nbatalh1/codes/picaso/picaso/test.py:66: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\s+'`` instead
  atmos=pd.read_csv(cloudy_file,delim_whitespace=True)
/home/nbatalh1/codes/picaso/picaso/test.py:68: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\s+'`` instead
  cld=pd.read_csv(brown_dwarf_cld(),delim_whitespace=True)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/test.py:66: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\s+'`` instead
  atmos=pd.read_csv(cloudy_file,delim_whitespace=True)
/home/nbatalh1/codes/picaso/picaso/test.py:68: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\s+'`` instead
  cld=pd.read_csv(brown_dwarf_cld(),delim_whitespace=True)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/test.py:66: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\s+'`` instead
  atmos=pd.read_csv(cloudy_file,delim_whitespace=True)
/home/nbatalh1/codes/picaso/picaso/test.py:68: FutureWarning: The 'delim_whitespace' keyword in pd.read_csv is deprecated and will be removed in a future version. Use ``sep='\s+'`` instead
  cld=pd.read_csv(brown_dwarf_cld(),delim_whitespace=True)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring LVL in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/atmsetup.py:191: UserWarning: Ignoring MUXX in input file, not a recognized molecule
  warnings.warn("Ignoring %s in input file, not a recognized molecule" % i, UserWarning)
/home/nbatalh1/codes/picaso/picaso/test.py:108: FutureWarning: ChainedAssignmentError: behaviour will change in pandas 3.0!
You are setting values through chained assignment. Currently this works in certain cases, but when using Copy-on-Write (which will become the default behaviour in pandas 3.0) this will never work to update the original DataFrame or Series, because the intermediate object on which we are setting values will behave as a copy.
A typical example is when you are setting values in a column of a DataFrame, like:

df["col"][row_indexer] = value

Use `df.loc[row_indexer, "col"] = values` instead, to perform the assignment in a single step and ensure this keeps updating the original `df`.

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy

  perror.loc[g][w] = np.mean(alb)

Let’s load the cdisort pre computed test file that we have in the PICASO reference files. Note that since this is precomputed, minor differences might occur based on what it is in the Rooney paper.

[14]:
data_disort32 = jdi.pd.read_csv(jdi.os.path.join(jdi.__refdata__, 'base_cases','testing',
                                         'cdisort32str_1270K_tau02.csv'),index_col=0)
[15]:
compare_picaso_disort32 = (data_disort32-Toon_quad)/data_disort32*100
compare_SH4_disort32 = (data_disort32-SH4)/data_disort32*100
compare_SH2_disort32 = (data_disort32-SH2)/data_disort32*100

Plot heatmap comparing radiative transfer methods

Reproduce Figure 6 in Rooney et al. 2023 Part II Thermal.

The efficacy of Toon large depends on the strength of the scattering. When single scattering approaches 1 or 0, Toon89 can be a very effective RT method. However, for intermediate values large errors (>10%) are visible when compared to DISORT 32 stream.

[16]:
toon89_fig = jpi.rt_heatmap(
    compare_picaso_disort32.iloc[:-1,[0,1,3,5,6,7,8,9,10,11,12,13,14]],
    cmap_kwargs={'palette':jpi.pals.plasma(11)[::-1], 'low':-5,'high':60},
    figure_kwargs={'title':'Toon89'}
)

sh4_fig = jpi.rt_heatmap(
    compare_SH4_disort32.iloc[:-1,[0,1,3,5,6,7,8,9,10,11,12,13,14]],
    cmap_kwargs={'palette':jpi.pals.viridis(11), 'low':-6,'high':2},
    figure_kwargs={'title':'SH4'}
)

diff_fig = jpi.rt_heatmap((compare_picaso_disort32.iloc[:-1,[0,1,3,5,6,7,8,9,10,11,12,13,14]] -
                    compare_SH4_disort32.iloc[:-1,[0,1,3,5,6,7,8,9,10,11,12,13,14]]
                           ),
    cmap_kwargs={'palette':jpi.pals.RdBu[11], 'low':-60,'high':60},
    figure_kwargs={'title':'Diff between Toon89 and SH4'}
)

jpi.show(jpi.row([toon89_fig, sh4_fig, diff_fig]))