Cthulhu.misc
============

.. py:module:: Cthulhu.misc


Functions
---------

.. autoapisummary::

   Cthulhu.misc.check_molecule
   Cthulhu.misc.write_output
   Cthulhu.misc.round_sig_figs
   Cthulhu.misc.int_to_roman
   Cthulhu.misc.cross_section_collection
   Cthulhu.misc.read_cross_section_file


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

.. py:function:: check_molecule(molecule)

   Check if the given string is a molecule

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

   :rtype: True if the given string is a molecule, false otherwise (if it is an atom).


.. py:function:: write_output(output_directory, species, roman_num, T, log_P, broad_type, broadening_file, nu_out, sigma_out)

   :param output_directory: Local directory where the output data is to be stored.
   :type output_directory: String
   :param species: Name of molecule or atomic.
   :type species: String
   :param roman_num: Ionization state, in case the species is an atom. Depicted in Roman numeral form.
   :type roman_num: String
   :param T: Temperature (K) the cross-section was computed at.
   :type T: int
   :param log_P: DESCRIPTION.
   :type log_P: int
   :param broad_type: The type of broadening used in computing the cross section.
   :type broad_type: String
   :param nu_out: DESCRIPTION.
   :type nu_out: TYPE
   :param sigma_out: DESCRIPTION.
   :type sigma_out: TYPE

   :rtype: None.


.. py:function:: round_sig_figs(value, sig_figs)

   Round a quantity to a specified number of significant figures.


.. py:function:: int_to_roman(num)

   Convert an integer to the corresponding Roman numeral.


.. py:function:: cross_section_collection(new_x, new_y, collection=[])

   Add new cross section (that is, wavelength and absorption cross section) to the collection

   :param new_x: DESCRIPTION.
   :type new_x: list
   :param new_y: DESCRIPTION.
   :type new_y: list
   :param collection: DESCRIPTION. The default is [].
   :type collection: 2d list, optional

   :returns: **collection** -- DESCRIPTION.
   :rtype: TYPE


.. py:function:: read_cross_section_file(species, database, filename, isotope='default', ionization_state=1, linelist='default', output_dir='./output/')

   Read in a previously computed cross section on a user's machine, and return the
   wavenumber and absorption cross section columns.

   :param species: Molecule for which the cross section was computed.
   :type species: String
   :param database: Database the line list was downloaded from.
   :type database: String
   :param filename: Full file name of the cross section file(eg. 'this_is_my_file.txt').
   :type filename: String
   :param isotope: Isotopologue of the molecule for which the cross-section is to be created. The default is 'default'.
   :type isotope: String
   :param ionization_state: Ionization state, in case of an atomic species. The default is 1.
   :type ionization_state: int
   :param linelist: Line list that is being used. HITRAN/HITEMP/VALD used as the line list name for these
                    databases respectively. ExoMol has its own named line lists. The default is 'default'.
   :type linelist: String
   :param output_dir = String: 'Prefix' of the directory containing the cross section files. If the files were downloaded
                               using our script with no modifications, output_dir will end in '/output'. The default is './output/'.

   :returns: * **nu** (*numpy array*) -- Wavenumber column of cross section file.
             * **sigma** (*numpy array*) -- Absorption cross section column of cross section file.