radis.api.kuruczapi module

Summary

Kurucz database parser

Based largely on the Exojax code

class KuruczDatabaseManager(name, molecule, local_databases, engine='default', verbose=True, parallel=True)

Bases: DatabaseManager

fetch_urlnames()

returns the possible urls of the desired linelist file, pending confirmation upon attempting download as to which is correct

get_possible_files(urlnames=None)

returns the urls from fetch_urlnames and the derived file paths at which each 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)

overwrites parent class method as required

register(get_main_files)

get_atomic_number(species)

Extracts the atomic number from the species given in spectroscopic notation

get_ionization_state(species)

Extracts the ionization state from the species given in spectroscopic notation

pick_ionE(ielem, charge)

Pick out the ionization energy of a specific atomic species from NIST.

Parameters:

• ielem (int) – atomic number (e.g., Fe=26)

• charge (int) – charge of the species

Returns:

ionE – ionization energy

Return type:

float

read_kurucz(kuruczf, preserve_orig_levels=False)

Parse a Kurucz linelist, process its columns as required, and return as a Pandas DataFrame

Inspired by: https://github.com/rasmus98/NLTE-Helium/blob/fc6161a30ebecfcf59f36386b1dc7f02ff749905/Grotrian_diagram_Helium.ipynb cell 2. Also see:

• https://github.com/DBerke/varconlib/blob/e57250ca359026ae8b8059dae179fb0ad9625aa2/varconlib/scripts/select_line_pairs.py#L711

• https://github.com/followthesheep/specutils/blob/e2873719f3820e83ab29c79062d7a59a7664fa2f/specutils/read_kurucz_linelist.py

• https://github.com/ajwheeler/Korg.jl/blob/53420d38c23e21a7fe202b8680bdb201c9a62a2a/src/linelist.jl#L153

Parameters:

• kuruczf (str) – file path

• preserve_orig_levels (boolean) – whether to preserve the original columns pertaining to the levels prior to transforming them, with ‘_orig’ appended to their name; note the columns are still reversed so that the database index increases in wavenumber rather than wavelength

Return type:

Pandas DataFrame containing the required columns for the Kurucz linelist database