radis.io.hitran module¶

Summary¶

HITRAN database parser

Routine Listing¶

hit2df()
parse_local_quanta()
parse_global_quanta()

class HITRANDatabaseManager(name, molecule, local_databases, engine='default', extra_params=None, verbose=True, parallel=True)[source]¶

Bases: DatabaseManager

download_and_parse(local_file, cache=True, parse_quanta=True)[source]¶

Download from HITRAN and parse into local_file. Also add metadata

Overwrites radis.io.dbmanager.DatabaseManager.download_and_parse() which downloads from a list of URL, because here we use [HAPI] to download the files.

Parameters

opener (an opener with an .open() command)
gfile (file handler. Filename: for info)

get_filenames()[source]¶: Get names of all files in the database (even if not downloaded yet)

See also

get_files_to_download()

register()[source]¶: register in ~/radis.json

cast_to_int64_with_missing_values(dg, keys)[source]¶: replace missing values of int64 columns with -1

columns_2004 = {'A': ('a10', <class 'float'>, 'Einstein A coefficient', 's-1'), 'El': ('a10', <class 'float'>, 'lower-state energy', 'cm-1'), 'Pshft': ('a8', <class 'float'>, 'air pressure-induced line shift at 296K', 'cm-1.atm-1'), 'Tdpair': ('a4', <class 'float'>, 'temperature-dependance exponent for Gamma air', ''), 'airbrd': ('a5', <class 'float'>, 'air-broadened half-width at 296K', 'cm-1.atm-1'), 'globl': ('a15', <class 'str'>, 'electronic and vibrational global lower quanta', ''), 'globu': ('a15', <class 'str'>, 'electronic and vibrational global upper quanta', ''), 'gp': ('a7', <class 'float'>, 'upper state degeneracy', ''), 'gpp': ('a7', <class 'float'>, 'lower state degeneracy', ''), 'id': ('a2', <class 'int'>, 'Molecular number', ''), 'ierr': ('a6', <class 'str'>, 'ordered list of indices corresponding to uncertainty estimates of transition parameters', ''), 'int': ('a10', <class 'float'>, 'intensity at 296K', 'cm-1/(molecule/cm-2)'), 'iref': ('a12', <class 'str'>, 'ordered list of reference identifiers for transition parameters', ''), 'iso': ('a1', <class 'int'>, 'isotope number', ''), 'lmix': ('a1', <class 'str'>, 'flag indicating the presence of additional data and code relating to line-mixing', ''), 'locl': ('a15', <class 'str'>, 'electronic and vibrational local lower quanta', ''), 'locu': ('a15', <class 'str'>, 'electronic and vibrational local upper quanta', ''), 'selbrd': ('a5', <class 'float'>, 'self-broadened half-width at 296K', 'cm-1.atm-1'), 'wav': ('a12', <class 'float'>, 'vacuum wavenumber', 'cm-1')}[source]¶

parsing order of HITRAN 2004 format

Type: OrderedDict

fetch_hitran(molecule, extra_params=None, local_databases=None, databank_name='HITRAN-{molecule}', isotope=None, load_wavenum_min=None, load_wavenum_max=None, columns=None, cache=True, verbose=True, clean_cache_files=True, return_local_path=False, engine='default', output='pandas', parallel=True, parse_quanta=True)[source]¶

Download all HITRAN lines from HITRAN website. Unzip and build a HDF5 file directly.

Returns a Pandas DataFrame containing all lines.

Parameters

molecule (str) – one specific molecule name, listed in HITRAN molecule metadata. See https://hitran.org/docs/molec-meta/ Example: “H2O”, “CO2”, etc.
local_databases (str) – where to create the RADIS HDF5 files. Default "~/.radisdb/hitran". Can be changed in radis.config["DEFAULT_DOWNLOAD_PATH"] or in ~/radis.json config file
databank_name (str) – name of the databank in RADIS Configuration file Default "HITRAN-{molecule}"
isotope (str) – load only certain isotopes : '2', '1,2', etc. If None, loads everything. Default None.
load_wavenum_min, load_wavenum_max (float (cm-1)) – load only specific wavenumbers.
columns (list of str) – list of columns to load. If None, returns all columns in the file.
extra_params (‘all’ or None) – Downloads all additional columns available in the HAPI database for the molecule including parameters like gamma_co2, n_co2 that are required to calculate spectrum in co2 diluent. For eg:
```
from radis.io.hitran import fetch_hitran
df = fetch_hitran('CO', extra_params='all', cache='regen') # cache='regen' to regenerate new database with additional columns
```

Other Parameters

cache (True, False, 'regen' or 'force') – if True, use existing HDF5 file. If False or 'regen', rebuild it. If 'force', raise an error if cache file cannot be used (useful for debugging). Default True.
verbose (bool)
clean_cache_files (bool) – if True clean downloaded cache files after HDF5 are created.
return_local_path (bool) – if True, also returns the path of the local database file.
engine (‘pytables’, ‘vaex’, ‘default’) – which HDF5 library to use. If ‘default’ use the value from ~/radis.json
output (‘pandas’, ‘vaex’, ‘jax’) – format of the output DataFrame. If 'jax', returns a dictionary of jax arrays. If 'vaex', output is a vaex.dataframe.DataFrameLocal

Note

Vaex DataFrames are memory-mapped. They do not take any space in RAM and are extremelly useful to deal with the largest databases.
parallel (bool) – if True, uses joblib.parallel to load database with multiple processes
parse_quanta (bool) – if True, parse local & global quanta (required to identify lines for non-LTE calculations ; but sometimes lines are not labelled.)

Returns

df (pd.DataFrame) – Line list A HDF5 file is also created in local_databases and referenced in the RADIS config file with name databank_name
local_path (str) – path of local database file if return_local_path

Examples

from radis.io.hitran import fetch_hitran
df = fetch_hitran("CO")
print(df.columns)
>>> Index(['id', 'iso', 'wav', 'int', 'A', 'airbrd', 'selbrd', 'El', 'Tdpair',
    'Pshft', 'gp', 'gpp', 'branch', 'jl', 'vu', 'vl'],
    dtype='object')

Compare CO spectrum from the GEISA and HITRAN database

Notes

if using load_only_wavenum_above/below or isotope, the whole database is anyway downloaded and uncompressed to local_databases fast access .HDF5 files (which will take a long time on first call). Only the expected wavenumber range & isotopes are returned. The .HFD5 parsing uses hdf2df()

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radis.io.hitran module¶

Summary¶

Routine Listing¶