Cthulhu.HITRAN

Functions

create_id_dict()

Create a dictionary that maps molecules to their HITRAN molecule ID number found here: https://hitran.org/lbl/

check(molecule, isotope)

Checks if the parameters passed into the summon() function by the user are valid to use with the HITRAN database

determine_linelist()

Determines the molecule and isotopologue that would like to be accessed based on user input

replace_iso_name(iso_name)

Replace the isotopologue name generated by HITRAN/HITEMP to match the isotopologue name convention

create_pf(mol_ID, iso_ID, folder[, T_min, T_max, step])

Create partition function file using the partitionSum() function already in hapi

create_air_broad(input_dir)

Create an air broadening file using the downloaded line list

summon_HITRAN(molecule, isotopologue)

Main function, uses calls to other functions to perform the line list download.

Module Contents

Cthulhu.HITRAN.create_id_dict()

Create a dictionary that maps molecules to their HITRAN molecule ID number found here: https://hitran.org/lbl/

Returns:

molecule_dict – Dictionary mapping a given molecule to its HITRAN ID number.

Return type:

dict

Cthulhu.HITRAN.check(molecule, isotope)

Checks if the parameters passed into the summon() function by the user are valid to use with the HITRAN database

Parameters:

  • molecule (String) – Name of molecule (e.g. H2O).

  • isotope (int) – Isotopologue number of the molecule (1 = most common isotopologue, 2 = second most common, etc.).

Return type:

None.

Cthulhu.HITRAN.determine_linelist()

Determines the molecule and isotopologue that would like to be accessed based on user input

Returns:

  • molecule_ID (int) – Molecular ID number of the desired molecule (based on HITRAN conventions found at https://hitran.org/lbl/# ).

  • isotopologue_ID (int) – Isotopologue number of the molecule (1 = most common isotopologue, 2 = second most common, etc.).

Cthulhu.HITRAN.replace_iso_name(iso_name)

Replace the isotopologue name generated by HITRAN/HITEMP to match the isotopologue name convention used by ExoMol.

Parameters:

iso_name (String) – Name of the isotopologue that is to be replaced.

Returns:

iso_name – A differently formatted version of the isotopologue name passed in. Matches ExoMol format.

Return type:

String

Cthulhu.HITRAN.create_pf(mol_ID, iso_ID, folder, T_min=70, T_max=3001, step=1.0)

Create partition function file using the partitionSum() function already in hapi

Parameters:

  • mol_ID (int) – Molecule ID number of the given molecule, as given by the first column in HITRAN here: https://hitran.org/lbl/.

  • iso_ID (int) – Isotopologue number of the molecule (1 = most common isotopologue, 2 = second most common, etc.).

  • folder (String) – Local directory where the partition function file is to be stored.

  • T_min (int, optional) – Minimum temperature (K) for which the partition function is computed by hapy.py. The default is 70.

  • T_max (int, optional) – Maximum temperature (K) for which the partition function is computed by hapy.py. The default is 3001.

  • step (float, optional) – Increment for temperature between T_min and T_max. The default is 1.0.

Return type:

None.

Cthulhu.HITRAN.create_air_broad(input_dir)

Create an air broadening file using the downloaded line list

Parameters:

input_dir (String) – Local directory where the broadening file is to be stored.

Return type:

None.

Cthulhu.HITRAN.summon_HITRAN(molecule, isotopologue)

Main function, uses calls to other functions to perform the line list download.

Parameters:

  • molecule (int) – Molecular ID number of species as specifed on HITRAN database.

  • isotopologue (int) – Isotopologue ID number of species as specifed on HITRAN database.

Return type:

None.