The `chemistry.py` module#

Summary#

Classes

`Chemistry`	Define and preprocess Chemkin chemistry set.
`Material`	Surface Chemkin material object.
`SurfacePhase`	Surface phase object.

Functions

`verbose`	Get current Pychemkin verbose mode.
`set_verbose`	Set Pychemkin verbose mode.
`chemkin_version`	Return the Chemkin-CFD-API version number currently in use.
`verify_version`	Check the Chemkin-CFD-API vwersion.
`chemkin_bin_dir`	Return the local Ansys Chemkin bin directory.
`ansys_dir`	Return the local Ansys installation.
`done`	Release Chemkin license and reset the Chemistry sets.
`check_chemistryset`	Check whether the Chemistry Set is initialized in Chemkin-CFD-API.
`activate_chemistryset`	Switch to (re-activate) the Chemistry Set.
`force_activate_chemistryset`	Activate the Chemistry Set automatically and silently.
`chemistryset_new`	Create a new Chemistry Set.
`chemistryset_initialized`	Set the Chemistry Set Initialization flag to True.
`check_active_chemistryset`	Verify if the chemistry set is currently activated.
`verify_chemset_surface`	Check the chemistry set has surface chemistry data.
`verify_chemset_sizes`	Verify the gas chemistry sizes.
`set_temp_array`	Set up the temperature array for Chemkin-CFD-API calls.
`get_symbol_length`	Get the length of Chemkin symbols.

Attributes

`LP_c_char`
`chemkin_verbose`

Constants

`MAX_SPECIES_LENGTH`
`COMPLETE`

Chemkin Chemistry utilities.

chemistry.chemkin_version() → int#: Return the Chemkin-CFD-API version number currently in use.

chemistry.verify_version(min_version: int) → bool#: Check the Chemkin-CFD-API vwersion.

chemistry.chemkin_bin_dir() → str#: Return the local Ansys Chemkin bin directory.

chemistry.check_chemistryset(chem_index: int) → bool#: Check whether the Chemistry Set is initialized in Chemkin-CFD-API.

chemistry.activate_chemistryset(chem_index: int) → int#: Switch to (re-activate) the Chemistry Set.

chemistry.force_activate_chemistryset(chem_index: int)#: Activate the Chemistry Set automatically and silently.

chemistry.chemistryset_initialized(chem_index: int)#: Set the Chemistry Set Initialization flag to True.

chemistry.check_active_chemistryset(chem_index: int) → bool#: Verify if the chemistry set is currently activated.

chemistry.verify_chemset_surface(chem_set_index: int) → bool#: Check the chemistry set has surface chemistry data.

chemistry.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.

chemistry.set_temp_array(temp: float, temp_ele: float | None = None, temp_ion: float | None = None) → numpy.typing.NDArray[numpy.double]#: Set up the temperature array for Chemkin-CFD-API calls.