:py:mod:`FELiCS.Equation.Reactions.reactionMechanism`
=====================================================

.. py:module:: FELiCS.Equation.Reactions.reactionMechanism


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

Classes
~~~~~~~

.. autoapisummary::

   FELiCS.Equation.Reactions.reactionMechanism.reactionClass
   FELiCS.Equation.Reactions.reactionMechanism.reactionMechanismClass




.. py:class:: reactionClass(educts, products, reactionMechanism, fluc, mean)


   Represents a chemical reaction with educts, products, and mechanism.

   This class manages the definition, discretization, and evaluation of a chemical reaction, including educt and product species, and provides access to reaction rates and equations.

   **Initialize the reactionClass object**

   :param educts: List of educt species.
   :type educts: :py:class:`list` or :py:class:`str`
   :param products: List of product species.
   :type products: :py:class:`list` or :py:class:`str`
   :param reactionMechanism: Name of the reaction mechanism.
   :type reactionMechanism: :py:class:`str`
   :param fluc: Fluctuation field (optional).
   :type fluc: :py:class:`object`
   :param mean: Mean field (optional).
   :type mean: :py:class:`object`

   :ivar __educts: Educt species.
   :vartype __educts: :py:class:`list` or :py:class:`str`
   :ivar __products: Product species.
   :vartype __products: :py:class:`list` or :py:class:`str`
   :ivar __isDiscretized: Flag indicating if the reaction is discretized.
   :vartype __isDiscretized: :py:class:`bool`
   :ivar __name: Reaction equation string.
   :vartype __name: :py:class:`str`
   :ivar __rr: Reaction rate (if discretized).

   :vartype __rr: :py:class:`object`

   .. py:property:: educts

      Returns the educt species.

      :returns: **educts** -- Educt species.
      :rtype: :py:class:`list` or :py:class:`str`

   .. py:property:: products

      Returns the product species.

      :returns: **products** -- Product species.
      :rtype: :py:class:`list` or :py:class:`str`

   .. py:property:: reactionEquation

      Returns the reaction equation string.

      :returns: **equation** -- Reaction equation.
      :rtype: :py:class:`str`

   .. py:property:: rr

      Returns the reaction rate.

      :returns: **rr** -- Reaction rate.
      :rtype: :py:class:`object`

   .. py:method:: consumption(specie)

      Returns the reaction rate for a consumed educt species.

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

      :returns: **rr** -- Reaction rate for the educt.
      :rtype: :py:class:`object`

      :raises Prints error if the species is not an educt.:


   .. py:method:: discretizeReaction(mean, fluc)

      Discretizes the reaction using the provided mean and fluctuation fields.

      :param mean: Mean field.
      :type mean: :py:class:`object`
      :param fluc: Fluctuation field.
      :type fluc: :py:class:`object`

      .. admonition:: Notes

         Sets the reaction rate according to the specified mechanism.


   .. py:method:: production(specie)

      Returns the reaction rate for a produced product species.

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

      :returns: **rr** -- Reaction rate for the product.
      :rtype: :py:class:`object`

      :raises Prints error if the species is not a product.:



.. py:class:: reactionMechanismClass(reactionMechanism, fluc=None, mean=None)


   Represents a collection of chemical reactions for a given mechanism.

   This class manages a list of reactions, species, and additional mean field quantities for a specified reaction mechanism.

   **Initialize the reactionMechanismClass object**

   :param reactionMechanism: Name of the reaction mechanism.
   :type reactionMechanism: :py:class:`str`
   :param fluc: Fluctuation field.
   :type fluc: :py:class:`object`, *optional*
   :param mean: Mean field.
   :type mean: :py:class:`object`, *optional*

   :ivar __numberOfSpecies: Number of species in the mechanism.
   :vartype __numberOfSpecies: :py:class:`int`
   :ivar __numberOfReactions: Number of reactions in the mechanism.
   :vartype __numberOfReactions: :py:class:`int`
   :ivar __reactionList: List of reactionClass instances.
   :vartype __reactionList: :py:class:`list`
   :ivar __additionalMeanFieldQuantities: List of additional mean field quantities.
   :vartype __additionalMeanFieldQuantities: :py:class:`list`
   :ivar __reactionMechanism: Name of the reaction mechanism.

   :vartype __reactionMechanism: :py:class:`str`

   .. py:property:: numberOfReactions

      Returns the number of reactions in the mechanism.

      :returns: **numberOfReactions** -- Number of reactions.
      :rtype: :py:class:`int`

   .. py:property:: numberOfSpecies

      Returns the number of species in the mechanism.

      :returns: **numberOfSpecies** -- Number of species.
      :rtype: :py:class:`int`

   .. py:property:: reactionMechanism

      Returns the name of the reaction mechanism.

      :returns: **reactionMechanism** -- Name of the reaction mechanism.
      :rtype: :py:class:`str`

   .. py:property:: reactions

      Returns the list of reactions.

      :returns: **reactions** -- List of reactionClass instances.
      :rtype: :py:class:`list`

   .. py:property:: additionalMeanFieldQuantities

      Returns the list of additional mean field quantities.

      :returns: **additionalMeanFieldQuantities** -- List of additional mean field quantities.
      :rtype: :py:class:`list`