Writing Test Cases

from radis import calc_spectrum


import time
t0=time.time()

s, factory_s = calc_spectrum(1800, 1820,         # cm-1
molecule='CO',
isotope='1',
pressure=1.01325,   # bar
Tgas=700,           # K
Tvib=710,
Trot=710,
mole_fraction=0.1,
wstep='auto',
path_length=1,      # cm
databank='hitemp',  # or 'hitemp', 'geisa', 'exomol'
optimization=None,
engine='vaex',
verbose=3,
return_factory=True,
)

s.apply_slit(0.5, 'nm')       # simulate an experimental slit

t1=time.time()
print('Time taken : '+str(t1 - t0))

t0=time.time()

s1, factory_s1 = calc_spectrum(1800, 1820,         # cm-1
molecule='CO',
isotope='1',
pressure=1.01325,   # bar
Tgas=700,           # K
Tvib=710,
Trot=710,
mole_fraction=0.1,
wstep='auto',
path_length=1,      # cm
databank='hitemp',  # or 'hitemp', 'geisa', 'exomol'
engine='pandas',
verbose=3,
return_factory=True,
)

s.apply_slit(0.5, 'nm')       # simulate an experimental slit

t1=time.time()
print(s.get("absorbance"))
s.plot('radiance_noslit')
print('Time taken : '+str(t1 - t0))

import numpy as np
print(np.allclose(s.get("absorbance"), s1.get("absorbance")))

for column in factory_s1.df1.columns:
assert np.all(factory_s1.df1[column] == factory_s.df1[column].to_numpy())