Cthulhu.ExoMol
==============

.. py:module:: Cthulhu.ExoMol


Functions
---------

.. autoapisummary::

   Cthulhu.ExoMol.check
   Cthulhu.ExoMol.get_default_iso
   Cthulhu.ExoMol.get_default_linelist
   Cthulhu.ExoMol.determine_linelist
   Cthulhu.ExoMol.process_files
   Cthulhu.ExoMol.load_states
   Cthulhu.ExoMol.summon_ExoMol


Module Contents
---------------

.. py:function:: check(molecule, isotope='', linelist='')

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

   :param molecule: Molecule name (e.g. H2O).
   :type molecule: String
   :param isotope: Isotopologue of the molecule (e.g. 1H-16O). The default is ''.
   :type isotope: String, optional
   :param linelist: Line list to be downloaded. The default is ''.
   :type linelist: String, optional

   :rtype: None.


.. py:function:: get_default_iso(molecule)

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

   :param molecule: Molecule for which we find the most abundant isotopologue.
   :type molecule: String

   :returns: **default_iso** -- Most abundant isotopologue of the given molecule.
   :rtype: String


.. py:function:: 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.

   :param molecule: Molecule name (e.g. H2O).
   :type molecule: String
   :param isotopologue: Name of isotopologue.
   :type isotopologue: String

   :returns: **linelist** -- Default line list for given molecule and isotopologue.
   :rtype: String


.. py:function:: 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.


.. py:function:: process_files(input_dir)

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

   :param input_dir: Local directory where the .broad and .pf files are stored.
   :type input_dir: String

   :rtype: None.


.. py:function:: load_states(input_directory)

   Read in the '.states' file downloaded from ExoMol

   :param input_directory: Directory that contains all the ExoMol downloaded files for the desired molecule/
                           isotopologue/line list.
   :type input_directory: String

   :returns: * **E** (*numpy array*) -- RYAN.
             * **g** (*numpy array*) -- RYAN.
             * **J** (*numpy array*) -- RYAN.


.. py:function:: summon_ExoMol(molecule, isotopologue, line_list, URL)

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

   :param molecule: Molecule to download line list for (e.g. H2O).
   :type molecule: String
   :param isotopologue: Isotopologue to download line list for (e.g. 1H-16O).
   :type isotopologue: String
   :param line_list: Line list to be downloaded. ExoMol has named lists for each molecule.
   :type line_list: String
   :param URL: ExoMol URL where the line list is located.
   :type URL: String

   :rtype: None.