def test_convert(verbose=True, *args, **kwargs):
""" Test conversions """
E = np.linspace(1, 5, 5) # eV
assert (J2eV(K2J(J2K(eV2J(E)))) == E).all()
E = 2150 # cm-1
assert J2cm(cm2J(E)) == E
assert K2cm(cm2K(E)) == E
if verbose:
print("K -> cm: ~ {0:.2f} K/cm".format(cm2K(1)))
E = 1 # eV
assert eV2cm(E) == J2cm(eV2J(1))
assert round(eV2K(E), 0) == 11605
assert K2eV(eV2K(E)) == E
E = 250 # nm
assert isclose(nm2eV(E), cm2eV(nm2cm(E)))
assert eV2nm(nm2eV(E)) == E
assert hz2nm(nm2hz(E)) == E
fwhm = 1.5 # nm
lbd_0 = 632.8 # nm
assert isclose(fwhm, dcm2dnm(dnm2dcm(fwhm, lbd_0), nm2cm(lbd_0)))
fwhm = 2e-3 # 0.002 nm
lbd_0 = 632.8
fwhm_hz = dnm2dhz(fwhm, lbd_0) # ~ 1.5 GHz
if verbose:
print(
(
"{0:.2g} nm broadening at {1} nm = {2:.2g} Ghz".format(
fwhm, lbd_0, fwhm_hz * 1e-9
)
)
)
assert isclose(fwhm_hz * 1e-9, 1.4973307983125002)
assert isclose(dhz2dnm(fwhm_hz, nm2hz(lbd_0)), fwhm)
assert atm2bar(1) == 1.01325
assert isclose(torr2bar(atm2torr(bar2atm(1))), 1)
assert isclose(torr2atm(bar2torr(atm2bar(1))), 1)
# Hz
assert isclose(1 / hz2cm(1e9), 30, atol=0.1) # 1 Ghz is about 30 cm
assert hz2cm(cm2hz(600)) == 600
return True
def test_convert(verbose=True, *args, **kwargs):
''' Test conversions '''
E = np.linspace(1, 5, 5) # eV
assert (J2eV(K2J(J2K(eV2J(E)))) == E).all()
E = 2150 # cm-1
assert J2cm(cm2J(E))
E = 1 # eV
assert (eV2cm(E) == J2cm(eV2J(1)))
assert (round(eV2K(E), 0) == 11605)
assert K2eV(eV2K(E)) == E
E = 250 # nm
assert isclose(nm2eV(E), cm2eV(nm2cm(E)))
assert (eV2nm(nm2eV(E)) == E)
assert hz2nm(nm2hz(E)) == E
fwhm = 1.5 # nm
lbd_0 = 632.8 # nm
assert (isclose(fwhm, dcm2dnm(dnm2dcm(fwhm, lbd_0), nm2cm(lbd_0))))
fwhm = 2e-3 # 0.002 nm
lbd_0 = 632.8
fwhm_hz = dnm2dhz(fwhm, lbd_0) # ~ 1.5 GHz
if verbose:
print(('{0:.2g} nm broadening at {1} nm = {2:.2g} Ghz'.format(
fwhm, lbd_0, fwhm_hz * 1e-9)))
assert isclose(fwhm_hz * 1e-9, 1.4973307983125002)
assert isclose(dhz2dnm(fwhm_hz, nm2hz(lbd_0)), fwhm)
assert atm2bar(1) == 1.01325
assert isclose(torr2bar(atm2torr(bar2atm(1))), 1)
assert isclose(torr2atm(bar2torr(atm2bar(1))), 1)
return True
# %% Define some commonly used molecules
from radis.phys.convert import eV2cm
# CO
# ----------
# Define with default diatomic constants
CO_X_iso1 = ElectronicState('CO', isotope=1, state='X', term_symbol='1Σ+',
spectroscopic_constants='default',
spectroscopic_constants_type='dunham',
vmax=17, # max level for Dunham's expansion
vmax_morse=48,
Ediss=eV2cm(11.16),
)
CO_X_iso2 = ElectronicState('CO', isotope=2, state='X', term_symbol='1Σ+',
spectroscopic_constants='default',
spectroscopic_constants_type='dunham',
vmax=17, # max level for Dunham's expansion
vmax_morse=48,
Ediss=eV2cm(11.16),
)
CO_X_iso3 = ElectronicState('CO', isotope=3, state='X', term_symbol='1Σ+',
spectroscopic_constants='default',
spectroscopic_constants_type='dunham',
vmax=17, # max level for Dunham's expansion
vmax_morse=48,
Ediss=eV2cm(11.16),
)