Cthulhu.ExoMol

Functions

check(molecule[, isotope, linelist])

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

get_default_iso(molecule)

Returns the default (most abundant on Earth) isotopologue given a molecule

get_default_linelist(molecule, isotopologue)

Returns a default line list for a given ExoMol molecule and isotopologue.

determine_linelist()

Determines the desired molecular line list from ExoMol from user input

process_files(input_dir)

Processes the .broad and .pf files downloaded from ExoMol into a format that Cthulhu can read to create cross-sections

load_states(input_directory)

Read in the '.states' file downloaded from ExoMol

summon_ExoMol(molecule, isotopologue, line_list, URL)

Main function, uses calls to other functions to perform the download

Module Contents

Cthulhu.ExoMol.check(molecule, isotope='', linelist='')

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

Parameters:

  • molecule (String) – Molecule name (e.g. H2O).

  • isotope (String, optional) – Isotopologue of the molecule (e.g. 1H-16O). The default is ‘’.

  • linelist (String, optional) – Line list to be downloaded. The default is ‘’.

Return type:

None.

Cthulhu.ExoMol.get_default_iso(molecule)

Returns the default (most abundant on Earth) isotopologue given a molecule

Parameters:

molecule (String) – Molecule for which we find the most abundant isotopologue.

Returns:

default_iso – Most abundant isotopologue of the given molecule.

Return type:

String

Cthulhu.ExoMol.get_default_linelist(molecule, isotopologue)

Returns a default line list for a given ExoMol molecule and isotopologue. These are sometimes changed as ExoMol releases better and more up-to-date line lists.

Parameters:

  • molecule (String) – Molecule name (e.g. H2O).

  • isotopologue (String) – Name of isotopologue.

Returns:

linelist – Default line list for given molecule and isotopologue.

Return type:

String

Cthulhu.ExoMol.determine_linelist()

Determines the desired molecular line list from ExoMol from user input

Returns:

  • molecule (String) – Molecule name (e.g. H2O).

  • isotopologue (String) – Isotopologue of molecule (e.g. 1H-16O).

  • linelist (String) – Desired ExoMol line list for moleclue-isotopologue combination.

  • website (String) – ExoMol website URL containing download links for the line list.

Cthulhu.ExoMol.process_files(input_dir)

Processes the .broad and .pf files downloaded from ExoMol into a format that Cthulhu can read to create cross-sections

Parameters:

input_dir (String) – Local directory where the .broad and .pf files are stored.

Return type:

None.

Cthulhu.ExoMol.load_states(input_directory)

Read in the ‘.states’ file downloaded from ExoMol

Parameters:

input_directory (String) – Directory that contains all the ExoMol downloaded files for the desired molecule/ isotopologue/line list.

Returns:

  • E (numpy array) – RYAN.

  • g (numpy array) – RYAN.

  • J (numpy array) – RYAN.

Cthulhu.ExoMol.summon_ExoMol(molecule, isotopologue, line_list, URL)

Main function, uses calls to other functions to perform the download

Parameters:

  • molecule (String) – Molecule to download line list for (e.g. H2O).

  • isotopologue (String) – Isotopologue to download line list for (e.g. 1H-16O).

  • line_list (String) – Line list to be downloaded. ExoMol has named lists for each molecule.

  • URL (String) – ExoMol URL where the line list is located.

Return type:

None.