def __init__(self, file=None):
""" Easy access to molecular parameters taken from HITRAN molparam.txt
Parameters
----------
file: str
if None the one in RADIS is taken
Examples
--------
Get abundance of CO2, isotope 1::
molpar = Molparams()
molpar.get(2, 1, 'abundance') # 2 for CO2, 1 for isotope 1
Note
----
Isotope number was derived manually assuming the isonames were ordered in the database
The isotope name (ex: CO2 626) is kept for comparison if ever needed
References
----------
http://hitran.org/media/molparam.txt
"""
if file is None:
file = getFile("molparam.txt")
df = pd.read_csv(file, comment="#", delim_whitespace=True)
df = df.set_index(["id", "iso"])
self.df = df
# ------
try: # Add hints (Python >3.6 only)
self.get.__annotations__["key"] = list(df.keys())
except AttributeError:
pass # old Python version
"HITEMP-CO2-TEST": {
"info": "HITEMP-2010, CO2, 3 main isotope (CO2-626, 636, 628), " +
"2283.7-2285.1 cm-1",
"path": [getTestFile(r"cdsd_hitemp_09_fragment.txt")],
"format":
"cdsd-hitemp", # CDSD-HITEMP version (same lines as HITEMP-2010).
"parfuncfmt": "hapi",
"levelsfmt": "radis",
},
"HITEMP-CO2-HAMIL-TEST": {
"info": "HITEMP-2010, CO2, 3 main isotope (CO2-626, 636, 628), " +
"2283.7-2285.1 cm-1, energies calculated from Tashkun effective hamiltonian",
"path": [getTestFile(r"cdsd_hitemp_09_fragment.txt")],
"format":
"cdsd-hitemp", # CDSD-HITEMP version (same lines as HITEMP-2010).
"parfunc": getFile("CO2", "partition_functions.txt"),
"parfuncfmt": "cdsd",
"levels": {
1: getTestFile(r"co2_cdsd_hamiltonian_fragment.levels")
},
"levelsfmt": "cdsd-hamil",
},
}
"""dict: test databases added in the :ref:`Configuration file <label_lbl_config_file>`
by :py:func:`~radis.test.utils.setup_test_line_databases`
"""
# %% Utils to test spec module
def setup_test_line_databases(verbose=True):