radis.api.atomic_pf_api moduleΒΆ

SummaryΒΆ

Kurucz database parser

Based largely on the Exojax code

class KuruczPFManager(name, molecule, local_databases, engine='default', verbose=True, parallel=True)[source]ΒΆ

Bases: DatabaseManager

get_pf_path()[source]ΒΆ

returns the url at which the dedicated partition function file is expected to be located, and the derived file path at which it would be saved after downloading and parsing

parse_to_local_file(opener, urlname, local_file, pbar_active=True, pbar_t0=0, pbar_Ntot_estimate_factor=None, pbar_Nlines_already=0, pbar_last=True)[source]ΒΆ

overwrites parent class method as required

class NISTPFManager(name, molecule, local_databases, engine='default', verbose=True, parallel=True)[source]ΒΆ

Bases: DatabaseManager

fetch_urlnames()[source]ΒΆ

β€œThis function should be overwritten by the DatabaseManager subclass

Returns:

  • list (list of urlnames)

  • See for instance (py:class:`radis.api.hitempapi.HITEMPDatabaseManager)

parse_to_local_file(opener, urlname, local_file, pbar_active=True, pbar_t0=0, pbar_Ntot_estimate_factor=None, pbar_Nlines_already=0, pbar_last=True)[source]ΒΆ

overwrites parent class method as required

fetch_NIST_pfs(molecule, local_databases=None, databank_name='NIST-PF-{molecule}', cache=True, verbose=True, clean_cache_files=True, engine='default', output='pandas', parallel=True)[source]ΒΆ

See e.g. fetch_hitemp() for an explanation of the parameters largely applicable to fetch_NIST_pfs

fetch_kurucz_pfs(molecule, local_databases=None, databank_name='Kurucz-PF-{molecule}', cache=True, verbose=True, clean_cache_files=True, engine='default', output='pandas', parallel=True)[source]ΒΆ

See e.g. fetch_hitemp() for an explanation of the parameters largely applicable to fetch_kurucz_pfs

load_pf_Barklem2016()[source]ΒΆ

Load a table of the partition functions for 284 atomic species.

Returns:

  • pfTdat (pd.DataFrame) – Steps of temperature (K)

  • pfdat (pd.DataFrame) – Partition functions for 284 atomic species

References

Barklem & Collet (2016), Table 8

read_NIST_pfs(file)[source]ΒΆ
read_kurucz_pfs(file)[source]ΒΆ

Convert a Kurucz partfnxxyy.dat file containing a table of partition functions by temperature and potential lowering to a Pandas DataFrame

Parameters:

fname (str) – file name

Returns:

df

Return type:

Pandas DataFrame