:py:mod:`FELiCS.Equation.MixtureClass`
======================================

.. py:module:: FELiCS.Equation.MixtureClass


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

Classes
~~~~~~~

.. autoapisummary::

   FELiCS.Equation.MixtureClass.MixtureClass




Attributes
~~~~~~~~~~

.. autoapisummary::

   FELiCS.Equation.MixtureClass.logger


.. py:data:: logger

   

.. py:class:: MixtureClass(mixFilePath, speciesFilePath)


   Defines a thermochemical mixture for reactive flow simulations.

   This class manages properties of a mixture defined in an external JSON file,
   including species, reaction mechanisms, transport properties, and viscosity.

   **Initialize the MixtureClass object**

   :param mixFilePath: Relative path to the mixture JSON file (e.g., 'Mixture.json').
   :type mixFilePath: :py:class:`str`
   :param speciesFilePath: Relative path to the species JSON file (not used in the constructor but stored).
   :type speciesFilePath: :py:class:`str`

   :ivar __Species__: Dictionary of species involved in the mixture.
   :vartype __Species__: :py:class:`dict`
   :ivar __Reaction_mechanism__: Dictionary describing the type of reaction mechanism used.
   :vartype __Reaction_mechanism__: :py:class:`dict`
   :ivar __Pr__: Prandtl number of the mixture.
   :vartype __Pr__: :py:class:`float`
   :ivar __Viscosity__: Dictionary containing the viscosity model and its parameters.

   :vartype __Viscosity__: :py:class:`dict`

   .. admonition:: Notes

      - If the mixture file is missing, default values are used.
      - A warning is issued if the mixture file is not a `.json` file.
      - The species data should be read later using `readSpeciesDict`.

   :raises Warning: If the mixture file format is incorrect.
   :raises Info: If the file is not found and defaults are used.

   .. py:property:: reactionMechanism

      Get the reaction mechanism definition.

      :returns: Dictionary describing the reaction mechanism.
      :rtype: :py:class:`dict`

   .. py:property:: Pr

      Get the Prandtl number of the mixture.

      :returns: Prandtl number value.
      :rtype: :py:class:`float`

   .. py:property:: Viscosity

      Get the viscosity model and its parameters.

      :returns: Dictionary containing the viscosity model (e.g., constant) and its parameters.
      :rtype: :py:class:`dict`

   .. py:property:: species

      Get the species dictionary (alias to `Species`).

      :returns: Dictionary of species in the mixture.
      :rtype: :py:class:`dict`

   .. py:property:: Species

      Get the species dictionary.

      :returns: Dictionary of species in the mixture.
      :rtype: :py:class:`dict`

   .. py:method:: getReactionMechanism()

      Return the dictionary describing the reaction mechanism.

      :returns: Dictionary containing the type and details of the reaction mechanism.
      :rtype: :py:class:`dict`


   .. py:method:: getSpeciesList(keyword='all')

      Return a list of species based on a specified category.

      :param keyword: Filter for returned species:
                      - 'all': return all species.
                      - 'transported': return only species for which a transport equation is solved.
                      - 'constraint': return only passive (non-transported) species.
      :type keyword: ``{'all', 'transported', 'constraint'}``, *optional*

      :returns: List of species names matching the specified keyword.
      :rtype: :py:class:`list` of :py:class:`str`


   .. py:method:: readSpeciesDict(filename)

      Read species data from a dictionary file and store relevant transport properties.

      :param filename: Path to the file containing a dictionary of species and their properties.
      :type filename: :py:class:`str`

      .. admonition:: Notes

         The file is expected to define a dictionary with entries for each species,
         each containing keys: 'mol_weight', 'Sc', and 'Sc_t'. Only species classified as
         'transported' will be processed.


   .. py:method:: Sc(specie)

      Return the Schmidt number for a specific species.

      :param specie: Name of the species.
      :type specie: :py:class:`str`

      :returns: Schmidt number of the species.
      :rtype: :py:class:`float`

      :raises KeyError: If the species is not defined in the species dictionary.


   .. py:method:: getSpeciesDict()

      Return the dictionary of species in the mixture.

      :returns: Dictionary with species names as keys and their properties as values.
      :rtype: :py:class:`dict`