ansys-chemkin-core 0.1.1
PyChemkin provides Pythonic interface to Ansys Chemkin utilities and reactor models
Requires Python: <4,>=3.10

.. image:: https://raw.githubusercontent.com/ansys/pychemkin/main/doc/source/_static/logo.png
   :target: https://github.com/ansys/pychemkin/
   :alt: PyChemkin

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|pyansys| |python| |pypi| |GH-CI| |codecov| |MIT| |ruff|

.. |pyansys| image:: https://img.shields.io/badge/Py-Ansys-ffc107.svg?labelColor=black&logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQCAIAAACQkWg2AAABDklEQVQ4jWNgoDfg5mD8vE7q/3bpVyskbW0sMRUwofHD7Dh5OBkZGBgW7/3W2tZpa2tLQEOyOzeEsfumlK2tbVpaGj4N6jIs1lpsDAwMJ278sveMY2BgCA0NFRISwqkhyQ1q/Nyd3zg4OBgYGNjZ2ePi4rB5loGBhZnhxTLJ/9ulv26Q4uVk1NXV/f///////69du4Zdg78lx//t0v+3S88rFISInD59GqIH2esIJ8G9O2/XVwhjzpw5EAam1xkkBJn/bJX+v1365hxxuCAfH9+3b9/+////48cPuNehNsS7cDEzMTAwMMzb+Q2u4dOnT2vWrMHu9ZtzxP9vl/69RVpCkBlZ3N7enoDXBwEAAA+YYitOilMVAAAAAElFTkSuQmCC
   :target: https://docs.pyansys.com/
   :alt: PyAnsys

.. |python| image:: https://img.shields.io/pypi/pyversions/ansys-chemkin-core?logo=python&logoColor=white&label=Python
   :target: https://pypi.org/project/ansys-chemkin-core/
   :alt: Python

.. |pypi| image:: https://img.shields.io/pypi/v/ansys-chemkin-core.svg?logo=pypi&logoColor=white&label=PyPI
   :target: https://pypi.org/project/ansys-chemkin-core/
   :alt: PyPI

.. |codecov| image:: https://img.shields.io/codecov/c/github/ansys/pychemkin
   :target: https://app.codecov.io/gh/ansys/pychemkin
   :alt: Codecov

.. |GH-CI| image:: https://github.com/ansys/pychemkin/actions/workflows/ci.yml/badge.svg
   :target: https://github.com/ansys/pychemkin/actions/workflows/ci.yml
   :alt: GH-CI

.. |MIT| image:: https://img.shields.io/badge/License-MIT-white.svg?labelColor=black
   :target: https://opensource.org/licenses/MIT
   :alt: MIT

.. |ruff| image:: https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/astral-sh/ruff/main/assets/badge/v2.json
   :target: https://github.com/astral-sh/ruff
   :alt: Ruff

About
=====

PyChemkin is a Python library that provides a powerful and user-friendly API
for `Ansys Chemkin`_. It facilitates programmatic customization of Chemkin
simulation workflow within the Python ecosystem and permits access to Chemkin
property and rate utilities as well as selected reactor models.

Installation
============

Ensure you have all the necessary `prerequisites`_. Then, refer to the
`installation guidelines`_ for detailed instructions on how to install
PyChemkin in your system.

Documentation
=============

The `official documentation`_ of PyChemkin contains the following chapters:

- `Getting started`_. This section provides a brief overview and instructions on
  how to get started with the project. It typically includes information on how
  to install the project, set up any necessary dependencies, and run a basic
  example or test to ensure everything is functioning correctly.

- `User guide`_. The user guide section offers detailed documentation and
  instructions on how to use the project. It provides comprehensive explanations
  of the project's features, functionalities, and configuration options. The
  user guide aims to help users understand the project's concepts, best
  practices, and recommended workflows.

- `API reference`_. The API reference section provides detailed documentation
  for the project's application programming interface (API). It includes
  information about classes, functions, methods, and their parameters, return
  values, and usage examples. This reference helps developers understand the
  available API endpoints, their functionalities, and how to interact with them
  programmatically.

- `Examples`_. The examples section showcases practical code examples that
  demonstrate how to use the project in real-world scenarios. It provides sample
  code snippets or complete scripts that illustrate different use cases or
  demonstrate specific features of the project. Examples serve as practical
  references for developers, helping them understand how to apply the project to
  their own applications.

- `Contribute`_. This section provides guidelines and instructions on how to
  contribute to the project. It includes information on how to set up the
  development environment, run tests, submit pull requests, and follow
  contribution guidelines.

- `Artifacts`_. Contains the artifacts generated by the project, like wheels and
  source distribution files. Additional targets are available too.


Troubleshooting
===============

For troubleshooting or reporting issues, please open an issue in the project
repository.

Please follow these steps to report an issue:

- Go to the project repository.
- Click on the ``Issues`` tab.
- Click on the ``New Issue`` button.
- Provide a clear and detailed description of the issue you are facing.
- Include any relevant error messages, code snippets, or screenshots.

Additionally, you can refer to the `official documentation`_ for additional
resources and troubleshooting guides.

License
=======

You can find the full text of the license in the `LICENSE`_ file.

Changelog
=========

The changelog section provides a summary of notable changes for each version of
PyChemkin. It helps you keep track of updates, bug fixes, new features, and
improvements made to the project over time.

To view the complete changelog, please visit the project repository and navigate
to the `CHANGELOG`_ file. It provides a comprehensive list of changes
categorized by version, along with brief descriptions of each change.


.. Ansys products
.. _Ansys Chemkin: https://www.ansys.com/products/fluids/ansys-chemkin

.. Prerequisites and installation guidelines
.. _prerequisites: https://chemkin.docs.pyansys.com/version/dev/getting-started/prerequisites.html
.. _contribute: https://chemkin.docs.pyansys.com/version/dev/contribute.html
.. _installation guidelines: https://chemkin.docs.pyansys.com/version/dev/getting-started/install.html

.. Documentation chapters
.. _official documentation: https://chemkin.docs.pyansys.com
.. _getting started: https://chemkin.docs.pyansys.com/version/dev/getting-started.html
.. _user guide: https://chemkin.docs.pyansys.com/version/dev/user-guide.html
.. _api reference: https://chemkin.docs.pyansys.com/version/dev/api.html
.. _examples: https://chemkin.docs.pyansys.com/version/dev/examples.html
.. _contribute: https://chemkin.docs.pyansys.com/version/dev/contribute.html
.. _artifacts: https://chemkin.docs.pyansys.com/version/dev/artifacts.html

.. _LICENSE: https://github.com/ansys/pychemkin/blob/main/LICENSE
.. _CHANGELOG: https://github.com/ansys/pychemkin/blob/main/CHANGELOG.md