def test_eq_vs_noneq_isotope(verbose=True,
plot=False,
warnings=True,
*args,
**kwargs):
''' Test same spectrum for 2 different calculation codes (equilibrium,
non-equilibrium) in the presence of isotopes
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]_
'''
try:
Tgas = 1500
sf = SpectrumFactory(wavelength_min=4250,
wavelength_max=4350,
mole_fraction=1,
path_length=1,
cutoff=1e-25,
molecule='CO2',
isotope='1,2',
db_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('HITEMP-CO2-DUNHAM')
s_nq = sf.non_eq_spectrum(Tvib=Tgas, Trot=Tgas, name='Non-eq')
s_eq = sf.eq_spectrum(Tgas=Tgas, name='Eq')
rtol = 5e-3 # 2nd isotope calculated with placeholder energies
match_eq_vs_non_eq = s_eq.compare_with(s_nq,
spectra_only='abscoeff',
rtol=rtol,
plot=plot)
match_eq_vs_non_eq *= s_eq.compare_with(s_nq,
spectra_only='radiance_noslit',
rtol=rtol,
plot=plot)
if verbose:
printm('Tested eq vs non-eq (<{0:.1f}% error) with isotopes: {1}'.
format(rtol * 100, bool(match_eq_vs_non_eq)))
assert match_eq_vs_non_eq
except DatabankNotFound as err:
assert IgnoreMissingDatabase(err, __file__, warnings)
def test_eq_vs_noneq_isotope(verbose=True,
plot=False,
warnings=True,
*args,
**kwargs):
"""Test same spectrum for 2 different calculation codes (equilibrium,
non-equilibrium) in the presence of isotopes
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 CI <https://travis-ci.com/radis/radis>`_
"""
Tgas = 1500
sf = SpectrumFactory(
wavelength_min=4250,
wavelength_max=4350,
mole_fraction=1,
path_length=1,
cutoff=1e-25,
molecule="CO2",
isotope="1,2",
db_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('HITEMP-CO2-DUNHAM')
s_nq = sf.non_eq_spectrum(Tvib=Tgas, Trot=Tgas, name="Non-eq")
s_eq = sf.eq_spectrum(Tgas=Tgas, name="Eq")
rtol = 5e-3 # 2nd isotope calculated with placeholder energies
match_eq_vs_non_eq = s_eq.compare_with(s_nq,
spectra_only="abscoeff",
rtol=rtol,
plot=plot)
match_eq_vs_non_eq *= s_eq.compare_with(s_nq,
spectra_only="radiance_noslit",
rtol=rtol,
plot=plot)
if verbose:
printm(
"Tested eq vs non-eq (<{0:.1f}% error) with isotopes: {1}".format(
rtol * 100, bool(match_eq_vs_non_eq)))
assert match_eq_vs_non_eq
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
