def peakmem_eq_spectrum(self):
opt = self.test_options
sf = SpectrumFactory(
**{
k: opt[k]
for k in [
"wavenum_min",
"wavenum_max",
"molecule",
"isotope",
"wstep",
"cutoff",
"verbose",
"chunksize",
]
}
)
sf.load_databank(
path=opt["path"],
format=opt["dbformat"],
parfuncfmt="hapi",
levelsfmt="radis",
)
assert len(sf.df0) == 1487308 # number of lines
sf.eq_spectrum(Tgas=1700)
def time_eq_spectrum(self):
# Note @ dev: can't use calc_spectrum directly because it cannot
# read a custom database
opt = self.test_options
sf = SpectrumFactory(
**{
k: opt[k]
for k in [
"wavenum_min",
"wavenum_max",
"molecule",
"isotope",
"wstep",
"cutoff",
"verbose",
"chunksize",
]
}
)
sf.load_databank(
path=opt["path"],
format=opt["dbformat"],
parfuncfmt="hapi",
levelsfmt="radis",
)
assert len(sf.df0) == 1487308 # number of lines
sf.eq_spectrum(Tgas=1700)
def test_eq_spectrum_gpu():
T = 1000
p = 0.1
wstep = 0.001
wmin = 2284.0 # cm-1
wmax = 2285.0 # cm-1
sf = SpectrumFactory(
wavenum_min=wmin,
wavenum_max=wmax,
mole_fraction=0.01, # until self and air broadening is implemented
path_length=1, # doesnt change anything
wstep=wstep,
pressure=p,
isotope="1",
chunksize="DLM",
warnings={
"MissingSelfBroadeningWarning": "ignore",
"NegativeEnergiesWarning": "ignore",
"HighTemperatureWarning": "ignore",
"GaussianBroadeningWarning": "ignore",
},
)
sf._broadening_method = "fft"
sf.load_databank(
path=getTestFile("cdsd_hitemp_09_fragment.txt"),
format="cdsd-4000",
parfuncfmt="hapi",
)
s_cpu = sf.eq_spectrum(Tgas=T)
s_gpu = sf.eq_spectrum_gpu(Tgas=T)
s_cpu.crop(wmin=2284.2, wmax=2284.8) # remove edge lines
s_gpu.crop(wmin=2284.2, wmax=2284.8)
assert s_cpu.compare_with(s_gpu, spectra_only=True, rtol=0.07,
plot=False) # set the appropriate tolerance
def test_line_survey_CO2(verbose=True,
plot=True,
warnings=True,
*args,
**kwargs):
setup_test_line_databases()
try:
pl = SpectrumFactory(
wavenum_min=2380,
wavenum_max=2400,
# wavelength_min=4170,
# wavelength_max=4200,
mole_fraction=400e-6,
path_length=100, # cm
parallel=False,
cutoff=1e-30,
isotope=[1],
save_memory=True,
db_use_cached=True,
) # 0.2)
pl.warnings["MissingSelfBroadeningWarning"] = "ignore"
pl.load_databank("HITRAN-CO2-TEST")
s = pl.eq_spectrum(Tgas=1500)
s.apply_slit(0.5)
if plot:
s.line_survey(overlay="transmittance", barwidth=0.01)
if verbose:
printm("no boolean defined for test_line_survey")
return True # test not defined (just testing methods work)
except DatabankNotFound as err:
assert IgnoreMissingDatabase(err, __file__, warnings)
def calc_radis():
# %% Calculate with RADIS
# ----------
pl = SpectrumFactory(
wavenum_min=wmin,
wavenum_max=wmax,
mole_fraction=1,
path_length=L,
wstep=dnu,
molecule=molecule,
pressure=p,
broadening_max_width=broadening_max_width,
cutoff=1e-23,
isotope=iso,
)
pl.warnings["MissingSelfBroadeningWarning"] = "ignore"
pl.warnings["HighTemperatureWarning"] = "ignore"
pl.fetch_databank(
source="hitran",
load_energies=False,
db_use_cached=True,
)
s = pl.eq_spectrum(Tgas=T) # , Ttrans=300)
s.name = "RADIS"
if plot:
pl.plot_broadening()
return s
def calc_radis():
# %% Calculate with RADIS
# ----------
pl = SpectrumFactory(wavenum_min=wmin,
wavenum_max=wmax,
mole_fraction=1,
path_length=L,
wstep=dnu,
molecule=molecule,
pressure=p,
broadening_max_width=broadening_max_width,
cutoff=1e-23,
db_use_cached=True,
isotope=iso) # 0.2)
pl.warnings['MissingSelfBroadeningWarning'] = 'ignore'
pl.warnings['HighTemperatureWarning'] = 'ignore'
pl.fetch_databank(format='hitran', load_energies=False)
s = pl.eq_spectrum(Tgas=T) # , Ttrans=300)
s.name = 'RADIS'
if plot:
pl.plot_broadening()
return s
isotopes = [1, 2, 3, 4]
sf = SpectrumFactory(
wavenum_min=wavenum_min,
wavenum_max=wavenum_max,
isotope=isotopes, #'all',
verbose=2,
wstep=dnu, # depends on HAPI benchmark.
cutoff=1e-23,
broadening_max_width=
5.73, # Corresponds to WavenumberWingHW/HWHM=50 in HAPI
molecule=molecule,
)
sf.fetch_databank("astroquery", load_energies=False)
s = sf.eq_spectrum(Tgas=T, pressure=pressure_bar)
s.name = "RADIS ({0:.1f}s)".format(s.conditions["calculation_time"])
# Print our HWHM for comparison (a posteriori)
print(("HWHM max {0:.2f} cm-1".format(sf.df1.hwhm_voigt.max())))
print((
"WavenumberWingHW/HWHM",
int(sf.params.broadening_max_width / (sf.df1.hwhm_voigt.max())),
))
assert (int(sf.params.broadening_max_width /
(sf.df1.hwhm_voigt.max()))) == benchmark_line_brd_ratio
# %% Run HAPI
print("Now calculating with HAPI")
# Generate HAPI database locally
def test_validation_vs_specair(rtol=1e-2,
verbose=True,
plot=False,
*args,
**kwargs):
''' Test RADIS output on CO IR bands against SPECAIR
Test is only performed on integrals of absorption coefficient
RADIS doesnt actually match Specair exactly, but this is due to line intensity
differences (Specair has no rovibrational specific intensities) rather than
differences in populations calculations, as evidenced by the partition functions
comparison in the RADIS presentation article.
'''
setup_test_line_databases() # add HITRAN-CO-TEST in ~/.radis if not there
# %% Specair calculation
# -----------
specair_300_300 = load_spec(getValidationCase(
join('test_validation_vs_specair_noneqCO_data',
'specair_CO_IR_Tvib300_Trot300.spec')),
binary=True)
specair_300_2000 = load_spec(getValidationCase(
join('test_validation_vs_specair_noneqCO_data',
'specair_CO_IR_Tvib300_Trot2000.spec')),
binary=True)
specair_2000_300 = load_spec(getValidationCase(
join('test_validation_vs_specair_noneqCO_data',
'specair_CO_IR_Tvib2000_Trot300.spec')),
binary=True)
article_version = False # just for the article
# %% Compare with RADIS
# ----------
wstep = 0.002
pl = SpectrumFactory(
wavelength_min=4400,
wavelength_max=4900,
mole_fraction=1,
pressure=0.01, # bar
path_length=1, # we dont care for abscoeff anyway
parallel=False,
cutoff=1e-30,
wstep=wstep,
isotope=1, # '1,2,3',
medium='vacuum') # 0.2)
pl.warnings['MissingSelfBroadeningWarning'] = 'ignore'
if article_version:
pl.load_databank('HITEMP-CO-DUNHAM')
else:
pl.load_databank('HITRAN-CO-TEST')
# Available on all systems, convenient for fast testing, but you
# will be missing some small lines for T ~ 2000 K .
print(
'Using HITRAN: small lines will be missing at T ~ 2000K. Use HITEMP if you want them'
)
s_300_300 = pl.eq_spectrum(300, name='RADIS')
s_2000_300 = pl.non_eq_spectrum(Tvib=2000,
Trot=300,
Ttrans=300,
name='RADIS')
s_300_2000 = pl.non_eq_spectrum(Tvib=300,
Trot=2000,
Ttrans=2000,
name='RADIS')
# %% Test
# Compare integrals
b1 = np.isclose(specair_300_300.get_integral('abscoeff'),
s_300_300.get_integral('abscoeff'),
rtol=rtol)
b1 *= np.isclose(specair_2000_300.get_integral('abscoeff'),
s_2000_300.get_integral('abscoeff'),
rtol=rtol)
b1 *= np.isclose(specair_300_2000.get_integral('abscoeff'),
s_300_2000.get_integral('abscoeff'),
rtol=rtol)
# Compare partition functions to hardcoded values
b2 = np.isclose(s_2000_300.lines.Q, 139, atol=1) # Specair: 139
b2 *= np.isclose(s_300_2000.lines.Q, 727, atol=1) # Specair: 727
if verbose:
printm(
'>>> comparing RADIS vs SPECAIR on CO: integrals of abscoeff is are close'
+ ' to within {0:.1f}%: {1} ({2:.1f}%, {3:.1f}%, {4:.1f}%)'.format(
rtol * 100,
bool(b1),
abs(
specair_300_300.get_integral('abscoeff') /
s_300_300.get_integral('abscoeff') - 1) * 100,
abs(
specair_2000_300.get_integral('abscoeff') /
s_2000_300.get_integral('abscoeff') - 1) * 100,
abs(
specair_300_2000.get_integral('abscoeff') /
s_300_2000.get_integral('abscoeff') - 1) * 100,
))
printm('>>> comparing RADIS vs SPECAIR on CO: partition functions ' +
'are equal to round error: {0}'.format(bool(b2)))
if plot:
plot_diff(
specair_300_300,
s_300_300,
title=r'T$_\mathregular{vib}$ 300 K, T$_\mathregular{rot}$ 300 K',
diff_window=int(
0.02 // wstep
), # compensate for small shifts in both codes. we're comparing intensities here.
lw_multiplier=1, #0.75,
wunit='nm_vac',
plot_medium=True,
)
plt.xlim((4500, 4900))
if article_version:
plt.savefig(
'out/test_validation_vs_specair_noneqCO_Tvib300_Trot300.png')
plt.savefig(
'out/test_validation_vs_specair_noneqCO_Tvib300_Trot300.pdf')
plot_diff(
specair_2000_300,
s_2000_300,
title=r'T$_\mathregular{vib}$ 2000 K, T$_\mathregular{rot}$ 300 K',
diff_window=int(
0.02 // wstep
), # compensate for small shifts in both codes. we're comparing intensities here.
lw_multiplier=1, #0.75,
wunit='nm_vac',
plot_medium=True,
)
plt.xlim((4500, 4900))
if article_version:
plt.savefig(
'out/test_validation_vs_specair_noneqCO_Tvib2000_Trot300.png')
plt.savefig(
'out/test_validation_vs_specair_noneqCO_Tvib2000_Trot300.pdf')
plot_diff(
specair_300_2000,
s_300_2000,
title=r'T$_\mathregular{vib}$ 300 K, T$_\mathregular{rot}$ 2000 K',
diff_window=int(
0.02 // wstep
), # compensate for small shifts in both codes. we're comparing intensities here.
lw_multiplier=1, #0.75,
wunit='nm_vac',
plot_medium=True,
)
plt.xlim((4500, 4900))
if article_version:
plt.savefig(
'out/test_validation_vs_specair_noneqCO_Tvib300_Trot2000.png')
plt.savefig(
'out/test_validation_vs_specair_noneqCO_Tvib300_Trot2000.pdf')
return bool(b1 * b2)
# Calculate ground emission
s_earth_0 = sPlanck(wmin, wmax, wstep=wstep, T=T_earth, eps=1 - albedo)
#%% Calculate atmosphere
# Calculate atmosphere layers
slabs = []
print('Calculating Atmosphere layers')
pb = ProgressBar(len(atm))
for i, r in atm.iterrows():
pb.update(i)
s = sf.eq_spectrum(
Tgas=r.T_K,
mole_fraction=x_CO2,
path_length=r.path_length * 1e5, # cm
pressure=r.P_Pa * 1e-5, # bar
)
slabs.append(s)
pb.done()
# now solve the line of sight for the atmosphere:
print('Solving radiative transfer equation')
s_atm = SerialSlabs(*slabs)
# %% Calculate the total Upward radiation
s_los_400 = SerialSlabs(s_earth_0, s_atm, resample='intersect')
# Note: RADIS does not have an irradiance unit by default.
# Here we create the irradiance from the radiance
"""
from radis import SpectrumFactory, SerialSlabs
# Calculate CO2
sf = SpectrumFactory(
wavelength_min=4000,
wavelength_max=5000, # cm-1
wstep=0.01,
isotope='1',
verbose=3,
chunksize='DLM',
)
sf.load_databank('HITEMP-CO2') # link to my CO2 HITEMP database files
s_forebody = sf.eq_spectrum(Tgas=4000,
pressure=1,
mole_fraction=0.027,
path_length=1)
s_freeflow = sf.non_eq_spectrum(Trot=1690,
pressure=0.017,
Tvib=2200,
mole_fraction=0.606,
path_length=3)
# Calcule CO
sfco = SpectrumFactory(
wavelength_min=4000,
wavelength_max=5000, # cm-1
wstep=0.01,
isotope='1',
verbose=3,
)
