data_management.helper_fxns
===========================

.. py:module:: data_management.helper_fxns

.. autoapi-nested-parse::

   This file contains helper functions used throughout the various parsing 
   scripts in this directory.



Functions
---------

.. autoapisummary::

   data_management.helper_fxns.find_files
   data_management.helper_fxns.lookup_extension
   data_management.helper_fxns.sanitize_basis_name
   data_management.helper_fxns.desanitize_basis_name
   data_management.helper_fxns.write_warning


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

.. py:function:: find_files(source_root, extensions, recursive=False)

   Recursively find all files in the given directory with the provided
   extensions.

   :param source_root: Root directory containing relevant files.
   :type source_root: str

   :param extensions: File extensions to search for.
   :type extensions: list of str

   :param recursive: Whether or not to recursively search in subdirectories,
       defaults to False
   :type recursive: bool

   :return: Dictionary of file extensions mapping to lists of full paths to 
       files found with the respective extension
   :rtype: dict of lists


.. py:function:: lookup_extension(format)

   Looks up the extension for a basis set file format.

   :param format: BSE basis set file format identifier.
   :type format: str
   :return: Extension for the file format.
   :rtype: str 


.. py:function:: sanitize_basis_name(bs_name)

   Sanitizes the basis set name. For example, replace numbers with the
   corresponding word and hyphens, plus-signs, and other symbols with 
   underscores.

   :param bs_name: Basis set name
   :type bs_name: str

   :return: Sanitized basis set name
   :rtype: str


.. py:function:: desanitize_basis_name(bs_name)

   "Desanitizes" the basis set name. For example, replace "_star" with
   an asterisk character '*'.

   :param bs_name: Sanitized basis set name
   :type bs_name: str

   :return: Unsanitized basis set name
   :rtype: str


.. py:function:: write_warning(fout, script_name, prefix='')

   Writes a warning saying the file was auto-generated by the given script
   and will be overwritten the next time it is run.

   :param fout: Text file opened for output.
   :type fout: :class:io.TextIOBase

   :param script_name: Name of the script that generates the file.
   :type script_name: str

   :param prefix: An optional, additional prefix to be added to every line of
       the warning comment. This is a quick an dirty fix to output this 
       warning to non-C++ files, where comments may be different.
       Defaults to "".
   :type prefix: str