The ``chemistry.py`` module
===========================

.. py:module:: ansys.chemkin.core.chemistry


Summary
-------














.. py:currentmodule:: chemistry
.. tab-set::




    .. tab-item:: Classes

        .. list-table::
          :header-rows: 0
          :widths: auto


          * - :py:obj:`~ansys.chemkin.core.chemistry.Chemistry`
            - Define and preprocess Chemkin chemistry set.


          * - :py:obj:`~ansys.chemkin.core.chemistry.Material`
            - Surface Chemkin material object.


          * - :py:obj:`~ansys.chemkin.core.chemistry.SurfacePhase`
            - Surface phase object.





    .. tab-item:: Functions

        .. list-table::
          :header-rows: 0
          :widths: auto


          * - :py:obj:`~verbose`
            - Get current Pychemkin verbose mode.


          * - :py:obj:`~set_verbose`
            - Set Pychemkin verbose mode.


          * - :py:obj:`~chemkin_version`
            - Return the Chemkin-CFD-API version number currently in use.


          * - :py:obj:`~verify_version`
            - Check the  Chemkin-CFD-API vwersion.


          * - :py:obj:`~chemkin_bin_dir`
            - Return the local Ansys Chemkin bin directory.


          * - :py:obj:`~ansys_dir`
            - Return the local Ansys installation.


          * - :py:obj:`~done`
            - Release Chemkin license and reset the Chemistry sets.


          * - :py:obj:`~check_chemistryset`
            - Check whether the Chemistry Set is initialized in Chemkin-CFD-API.


          * - :py:obj:`~activate_chemistryset`
            - Switch to (re-activate) the Chemistry Set.


          * - :py:obj:`~force_activate_chemistryset`
            - Activate the Chemistry Set automatically and silently.


          * - :py:obj:`~chemistryset_new`
            - Create a new Chemistry Set.


          * - :py:obj:`~chemistryset_initialized`
            - Set the Chemistry Set Initialization flag to True.


          * - :py:obj:`~check_active_chemistryset`
            - Verify if the chemistry set is currently activated.


          * - :py:obj:`~verify_chemset_surface`
            - Check the chemistry set has surface chemistry data.


          * - :py:obj:`~verify_chemset_sizes`
            - Verify the gas chemistry sizes.


          * - :py:obj:`~set_temp_array`
            - Set up the temperature array for Chemkin-CFD-API calls.


          * - :py:obj:`~get_symbol_length`
            - Get the length of Chemkin symbols.



    .. tab-item:: Attributes

        .. list-table::
          :header-rows: 0
          :widths: auto


          * - :py:obj:`~LP_c_char`
            - 


          * - :py:obj:`~chemkin_verbose`
            - 



    .. tab-item:: Constants

        .. list-table::
          :header-rows: 0
          :widths: auto


          * - :py:obj:`~MAX_SPECIES_LENGTH`
            - 


          * - :py:obj:`~COMPLETE`
            - 







.. toctree::
   :titlesonly:
   :maxdepth: 1
   :hidden:

    <span class="nf nf-cod-symbol_class"></span> Chemistry</api/ansys/chemkin/core/chemistry/Chemistry>
    <span class="nf nf-cod-symbol_class"></span> Material</api/ansys/chemkin/core/chemistry/Material>
    <span class="nf nf-cod-symbol_class"></span> SurfacePhase</api/ansys/chemkin/core/chemistry/SurfacePhase>









Description
-----------

Chemkin Chemistry utilities.







Module detail
-------------

.. py:function:: verbose() -> bool

   Get current Pychemkin verbose mode.


.. py:function:: set_verbose(onoff: bool)

   Set Pychemkin verbose mode.


.. py:function:: chemkin_version() -> int

   Return the Chemkin-CFD-API version number currently in use.


.. py:function:: verify_version(min_version: int) -> bool

   Check the  Chemkin-CFD-API vwersion.


.. py:function:: chemkin_bin_dir() -> str

   Return the local Ansys Chemkin bin directory.


.. py:function:: ansys_dir() -> str

   Return the local Ansys installation.


.. py:function:: done()

   Release Chemkin license and reset the Chemistry sets.


.. py:function:: check_chemistryset(chem_index: int) -> bool

   Check whether the Chemistry Set is initialized in Chemkin-CFD-API.


.. py:function:: activate_chemistryset(chem_index: int) -> int

   Switch to (re-activate) the Chemistry Set.


.. py:function:: force_activate_chemistryset(chem_index: int)

   Activate the Chemistry Set automatically and silently.


.. py:function:: chemistryset_new(chem_index: int)

   Create a new Chemistry Set.


.. py:function:: chemistryset_initialized(chem_index: int)

   Set the Chemistry Set Initialization flag to True.


.. py:function:: check_active_chemistryset(chem_index: int) -> bool

   Verify if the chemistry set is currently activated.


.. py:function:: verify_chemset_surface(chem_set_index: int) -> bool

   Check the chemistry set has surface chemistry data.


.. py:function:: verify_chemset_sizes(chem_set_index: int, num_elements: int = -1, num_gas_species: int = -1, num_gas_reactions: int = -1) -> bool

   Verify the gas chemistry sizes.


.. py:function:: set_temp_array(temp: float, temp_ele: Union[float, None] = None, temp_ion: Union[float, None] = None) -> numpy.typing.NDArray[numpy.double]

   Set up the temperature array for Chemkin-CFD-API calls.


.. py:function:: get_symbol_length() -> int

   Get the length of Chemkin symbols.


.. py:data:: MAX_SPECIES_LENGTH
   :value: 17


.. py:data:: COMPLETE
   :value: 0


.. py:data:: LP_c_char

.. py:data:: chemkin_verbose
   :value: True