def _test(verbose=True, plot=False, *args, **kwargs):
""" Generate scalable LevelList at 1500K. Rescale at 2000K and compare with
spectrum directly calculated at 2000K
"""
from radis.lbl import SpectrumFactory
iso = 1
sf = SpectrumFactory(
wavelength_min=4170,
wavelength_max=4200,
mole_fraction=1,
path_length=0.05,
cutoff=1e-25,
# isotope=[1,2],
isotope=iso,
db_use_cached=True,
wstep=0.01,
broadening_max_width=10,
medium="air",
verbose=verbose,
)
sf.load_databank("CDSD")
parfunc = sf.parsum_calc["CO2"][iso]["X"]
# %% Fill levels for all bands
Tref = 1500
s_bands = sf.non_eq_bands(Tvib=Tref, Trot=Tref)
lvlist = LevelsList(parfunc, s_bands, sf.params.levelsfmt)
# %% Test
Tvib = 2000
s_resc = lvlist.non_eq_spectrum(Tvib=Tvib, Trot=Tref)
s0 = sf.non_eq_spectrum(Tvib, Tref)
return s0.compare_with(s_resc, spectra_only=True, plot=plot)
def test_direct_overpopulation_vs_recombined_bands(verbose=True,
plot=False,
warnings=True,
rtol=0.05,
*args,
**kwargs):
""" Compare a non-equilibrium spectrum calculated directly with overpopulations,
or by recombining pre-calculated vibrational bands.
The later allows for almost instantaneous changes of the overpopulation factors,
(mostly useful in fitting algorithms), but is only valid for optically thin emission spectra
Expected output:
when x_CO2 = 1e-3, radiance in both cases match
when x_CO2 = 1, they dont
"""
# Notes
# -----
#
# On the old NeQ package the test used [HITEMP-2010]_
#
# Starting from RADIS 1.0.1, the test is run on [HITRAN-2016]_, which
# is not valid for these temperatures but can be more conveniently
# downloaded automatically and thus executed everytime with [Travis]_
#
# Note: only with iso1 at the moment
if plot: # Make sure matplotlib is interactive so that test are not stuck in pytest
plt.ion()
try:
# Generate factory
iso = 1
sf = SpectrumFactory(
wavelength_min=4220,
wavelength_max=4280,
mole_fraction=1e-3,
path_length=10,
cutoff=1e-25,
molecule="CO2",
isotope=iso,
db_use_cached=True,
wstep=0.01,
broadening_max_width=5,
medium="air",
verbose=verbose,
)
sf.warnings["MissingSelfBroadeningWarning"] = "ignore"
sf.warnings["NegativeEnergiesWarning"] = "ignore"
sf.load_databank("CDSD-HITEMP-PCN")
# sf.fetch_databank() # uses HITRAN: not really valid at this temperature, but runs on all machines without install
# Generate bands to recombine
parfunc = sf.parsum_calc["CO2"][iso]["X"]
Tref = 1500
# , return_lines=False)
s_bands = sf.non_eq_bands(Tvib=Tref, Trot=Tref)
lvlist = LevelsList(parfunc, s_bands, sf.params.levelsfmt)
# Compare ab initio and recombined from bands at M = 1e-3
s_recombined = lvlist.non_eq_spectrum(Tvib=Tref,
Trot=Tref,
overpopulation={"(4,1,3)": 3})
sref = sf.non_eq_spectrum(Tvib=Tref,
Trot=Tref,
overpopulation={"(4,1,3)": 1})
if verbose:
printm(
"Testing x_CO2 = 1e-3: ab initio ~ recombined bands (<{0:.1f}%):\t"
.format(rtol * 100))
if plot:
plot_diff(
sref,
s_recombined,
var="radiance_noslit",
label1="ab initio",
label2="recombined bands",
title="x_CO2 = 1e-3",
)
assert np.allclose(s_recombined.get_radiance_noslit(),
sref.get_radiance_noslit(),
rtol=rtol)
# Rescale and try again for x_CO2 = 1
s_recombined.rescale_mole_fraction(1)
sref.rescale_mole_fraction(1)
if plot:
plot_diff(
sref,
s_recombined,
var="radiance_noslit",
label1="ab initio",
label2="recombined bands",
title="x_CO2 = 1",
)
if verbose:
printm(
"Testing x_CO2 = 1: ab initio ~ recombined bands (<{0:.1f}%):\t{1}"
.format(
rtol * 100,
np.allclose(
s_recombined.get_radiance_noslit(),
sref.get_radiance_noslit(),
rtol=rtol,
),
))
with pytest.raises(AssertionError):
assert np.allclose(
s_recombined.get_radiance_noslit(),
sref.get_radiance_noslit(),
rtol=rtol,
)
return True
except DatabankNotFound as err:
assert IgnoreMissingDatabase(err, __file__, warnings)
def test_plot_all_CO2_bandheads(verbose=True, plot=False, *args, **kwargs):
"""In this test we use the :meth:`~radis.lbl.bands.BandFactory.non_eq_bands`
method to calculate separately all vibrational bands of CO2, and compare
them with the final Spectrum.
"""
# Note: only with iso1 at the moment
if plot: # Make sure matplotlib is interactive so that test are not stuck in pytest
plt.ion()
Tgas = 1000
sf = SpectrumFactory(
wavelength_min=4160,
wavelength_max=4220,
mole_fraction=1,
path_length=0.3,
cutoff=1e-23,
molecule="CO2",
isotope=1,
optimization=None,
verbose=verbose,
)
sf.warnings["MissingSelfBroadeningWarning"] = "ignore"
sf.warnings["NegativeEnergiesWarning"] = "ignore"
sf.warnings["HighTemperatureWarning"] = "ignore"
sf.fetch_databank("hitran")
s_tot = sf.non_eq_spectrum(Tvib=Tgas, Trot=Tgas)
s_bands = sf.non_eq_bands(Tvib=Tgas, Trot=Tgas)
if verbose:
printm("{0} bands in spectrum".format(len(s_bands)))
assert len(s_bands) == 6
# Ensure that recombining gives the same
s_merged = MergeSlabs(*list(s_bands.values()))
assert s_tot.compare_with(s_merged, "radiance_noslit", plot=False)
if verbose:
printm("Recombining bands give the same Spectrum")
# %%
if plot:
s_tot.apply_slit(1, "nm")
s_tot.name = "Full spectrum"
s_tot.plot(wunit="nm", lw=3)
for band, s in s_bands.items():
s.plot(wunit="nm", nfig="same")
plt.legend(loc="upper left")
plt.ylim(ymax=0.25)
# %% Compare with equilibrium bands now
s_bands_eq = sf.eq_bands(Tgas)
s_merged_eq = MergeSlabs(*list(s_bands_eq.values()))
assert get_residual(s_tot, s_merged_eq, "radiance_noslit") < 1.5e-5
return True
def test_plot_all_CO2_bandheads(verbose=True, plot=False, *args, **kwargs):
''' In this test we use the :meth:`~radis.lbl.bands.BandFactory.non_eq_bands`
method to calculate separately all vibrational bands of CO2, and compare
them with the final Spectrum.
'''
# Note: only with iso1 at the moment
if plot: # Make sure matplotlib is interactive so that test are not stuck in pytest
plt.ion()
verbose = True
Tgas = 1000
sf = SpectrumFactory(wavelength_min=4160,
wavelength_max=4220,
mole_fraction=1,
path_length=0.3,
cutoff=1e-23,
molecule='CO2',
isotope=1,
db_use_cached=True,
lvl_use_cached=True,
verbose=verbose)
sf.warnings['MissingSelfBroadeningWarning'] = 'ignore'
sf.warnings['NegativeEnergiesWarning'] = 'ignore'
sf.warnings['HighTemperatureWarning'] = 'ignore'
sf.fetch_databank()
s_tot = sf.non_eq_spectrum(Tvib=Tgas, Trot=Tgas)
s_bands = sf.non_eq_bands(Tvib=Tgas, Trot=Tgas)
if verbose:
printm('{0} bands in spectrum'.format(len(s_bands)))
assert len(s_bands) == 6
# Ensure that recombining gives the same
s_merged = MergeSlabs(*list(s_bands.values()))
assert s_tot.compare_with(s_merged, 'radiance_noslit', plot=False)
if verbose:
printm('Recombining bands give the same Spectrum')
# %%
if plot:
s_tot.apply_slit(1, 'nm')
s_tot.name = 'Full spectrum'
s_tot.plot(wunit='nm', lw=3)
for band, s in s_bands.items():
s.plot(wunit='nm', nfig='same')
plt.legend(loc='upper left')
plt.ylim(ymax=0.25)
# %% Compare with equilibrium bands now
s_bands_eq = sf.eq_bands(Tgas)
s_merged_eq = MergeSlabs(*list(s_bands_eq.values()))
assert get_residual(s_tot, s_merged_eq, 'radiance_noslit') < 1e-5
return True
def test_all_calc_methods(
verbose=True, plot=False, warnings=True, rtol=1e-3, *args, **kwargs
):
""" Test same spectrum for 3 different calculation variants (equilibrium,
non-equilibrium, per band and recombine
"""
if plot: # Make sure matplotlib is interactive so that test are not stuck in pytest
import matplotlib.pyplot as plt
plt.ion()
try:
Tgas = 1500
iso = 1
sf = SpectrumFactory(
wavelength_min=4170,
wavelength_max=4175,
mole_fraction=1,
path_length=0.025,
cutoff=1e-25,
molecule="CO2",
isotope=iso,
db_use_cached=True,
lvl_use_cached=True,
verbose=verbose,
)
sf.warnings["MissingSelfBroadeningWarning"] = "ignore"
sf.warnings["NegativeEnergiesWarning"] = "ignore"
sf.warnings["HighTemperatureWarning"] = "ignore"
# sf.fetch_databank() # uses HITRAN: not really valid at this temperature, but runs on all machines without install
sf.load_databank("CDSD-HITEMP-PC")
s_bands = sf.non_eq_bands(Tvib=Tgas, Trot=Tgas)
lvl = LevelsList(sf.parsum_calc["CO2"][iso]["X"], s_bands, sf.params.levelsfmt)
s_bd = lvl.non_eq_spectrum(Tvib=Tgas, Trot=Tgas)
s_nq = sf.non_eq_spectrum(Tvib=Tgas, Trot=Tgas)
s_eq = sf.eq_spectrum(Tgas=Tgas)
#
if plot:
fig = plt.figure(fig_prefix + "Compare all calc methods")
s_bd.plot(nfig=fig.number, color="b", lw=5, label="from bands code")
s_nq.plot(nfig=fig.number, lw=3, label="non eq code")
s_eq.plot(nfig=fig.number, lw=2, color="r", label="equilibrum code")
plt.legend()
assert np.isclose(s_bd.get_power(), s_nq.get_power(), rtol=rtol)
assert np.isclose(s_bd.get_power(), s_eq.get_power(), rtol=rtol)
if verbose:
printm(
"Eq == non-eq:\t",
np.isclose(s_eq.get_power(), s_nq.get_power(), rtol=rtol),
)
printm(
"Bands == Non-eq:\t",
np.isclose(s_bd.get_power(), s_nq.get_power(), rtol=rtol),
)
if verbose:
printm("Test all methods comparison: OK")
return True
except DatabankNotFound as err:
assert IgnoreMissingDatabase(err, __file__, warnings)
def test_all_calc_methods_CO2pcN(verbose=True,
plot=False,
warnings=True,
rtol=1e-3,
*args,
**kwargs):
"""Test same spectrum for 3 different calculation variants (equilibrium,
non-equilibrium, per band and recombine
Uses CO2 Levels database where the energy partitioning is done as follow:
2 nonequilibrium modes
Evib is the minimum of a "p,c,N" group
Erot = E - Evib
This corresponds to the levelsfmt = 'cdsd-pcN' in
:data:`~radis.lbl.loader.KNOWN_LVLFORMAT`
"""
from radis.misc.config import getDatabankEntries
from radis.test.utils import (
define_Evib_as_min_of_polyad,
discard_lines_with_na_levels,
setup_test_line_databases,
)
if plot: # Make sure matplotlib is interactive so that test are not stuck in pytest
import matplotlib.pyplot as plt
plt.ion()
#%%
Tgas = 500
iso = 1
sf = SpectrumFactory(
wavenum_min=2284,
wavenum_max=2285,
broadening_max_width=5, # TODO @EP: crashes with 0.3?
mole_fraction=1,
path_length=0.025,
cutoff=1e-25,
molecule="CO2",
isotope=iso,
db_use_cached=True,
lvl_use_cached=True,
verbose=verbose,
)
sf.warnings["MissingSelfBroadeningWarning"] = "ignore"
sf.warnings["NegativeEnergiesWarning"] = "ignore"
sf.warnings["HighTemperatureWarning"] = "ignore"
# Preparation:
setup_test_line_databases()
# Generate a Levels database with p,c,N energy partitioning
# ... copy "HITEMP-CO2-HAMIL-TEST" info
database_kwargs = getDatabankEntries("HITEMP-CO2-HAMIL-TEST")
# ... adapt it to 'cdsd-pcN' mode
del database_kwargs["info"]
database_kwargs["levelsfmt"] = "cdsd-pcN"
# ... load the new database
sf.load_databank(**database_kwargs)
# Now, define Evib:
Q_calc = sf.parsum_calc["CO2"][1]["X"]
Q_calc.df = define_Evib_as_min_of_polyad(Q_calc.df, keys=["p", "c", "N"])
# With this Evib definition, clean the Lines database from where Evib is not defined
# (because Levels does not exist in the reduced, test Level Database)
discard_lines_with_na_levels(sf)
# %%---------------------
# Ready, let's start the tests:
s_bands = sf.non_eq_bands(Tvib=Tgas, Trot=Tgas)
lvl = LevelsList(sf.parsum_calc["CO2"][iso]["X"], s_bands,
sf.params.levelsfmt)
s_bd = lvl.non_eq_spectrum(Tvib=Tgas, Trot=Tgas)
s_nq = sf.non_eq_spectrum(Tvib=Tgas, Trot=Tgas)
s_eq = sf.eq_spectrum(Tgas=Tgas)
#
if plot:
fig = plt.figure(fig_prefix + "Compare all calc methods")
s_bd.plot(nfig=fig.number, color="b", lw=5, label="from bands code")
s_nq.plot(nfig=fig.number, lw=3, label="non eq code")
s_eq.plot(nfig=fig.number, lw=2, color="r", label="equilibrum code")
plt.legend()
assert np.isclose(s_bd.get_integral("abscoeff"),
s_nq.get_integral("abscoeff"),
rtol=rtol)
assert np.isclose(s_bd.get_integral("abscoeff"),
s_eq.get_integral("abscoeff"),
rtol=rtol)
assert np.isclose(s_nq.get_integral("abscoeff"),
s_eq.get_integral("abscoeff"),
rtol=rtol)
# TODO @EP: assertion fail in emission. This is due to the slight shift
# in intensity also observed in the Planck test (test_base.py::test_optically_thick_limit_1iso()).
# assert np.isclose(s_bd.get_power(), s_nq.get_power(), rtol=rtol)
# assert np.isclose(s_bd.get_power(), s_eq.get_power(), rtol=rtol)
# assert np.isclose(s_nq.get_power(), s_eq.get_power(), rtol=rtol)
return True
