PyTeCK 0.2.1

Evaluation of chemical kinetic models with experimental data

PyTeCK

This software package automatically evaluates the performance of a chemical kinetic model using experimental data given in a specified YAML format.

Installation

The easiest way to install PyTeCK is via conda. You can install to your environment with

> conda install -c kyleniemeyer pyteck

which will also handle all the dependencies. Alternatively, you can install from PyPI with

> pip install pyteck

If you prefer to install manually, or want a particular version outside of the tagged releases distributed to those services, you can download the source files from this repository, navigate to the directory, and install using either setuptools

> python setup.py install

or pip

> pip install .

pip is recommended due to its easy uninstall option (pip uninstall pyteck).

Usage

Once installed, the full list of options can be seen using pyteck -h or pyteck --help.

Code of Conduct

In order to have a more open and welcoming community, PyTeCK adheres to a code of conduct adapted from the Contributor Covenant code of conduct.

Please adhere to this code of conduct in any interactions you have in the PyTeCK community. It is strictly enforced on all official PyTeCK repositories, websites, and resources. If you encounter someone violating these terms, please let [@kyleniemeyer](https://github.com/kyleniemeyer) know via email at [e-mail] and we will address it as soon as possible.

Citation

If you use this package as part of a scholarly publication, please refer to CITATION.md for instructions on how to cite this resource directly.

License

PyTeCK is released under the MIT license; see LICENSE for details.

Change Log

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog and this project adheres to Semantic Versioning.

Unreleased

Added

Fixed

Changed

[0.2.1] - 2017-04-14

Added

• Adds AppVeyor build for Windows conda packages

• Adds CONTRIBUTING guide

0.2.0 - 2017-04-13

Added

• Adds initial web documentation using Sphinx/Doctr

• Deploys conda and PyPI packages with tagged releases

Changed

• Major changes for compatibility with PyKED package and newer ChemKED format

0.1.0 - 2016-07-12

Added

• First published version of PyTeCK.

• Supports validation using both shock tube and RCM experimental data in ChemKED format, but RCM not fully functional.

Citation of PyTeCK

To cite PyTeCK in a scholarly article, please use

K. E. Niemeyer. (2017) PyTeCK v0.2.1 [software]. Zenodo. https://doi.org/10.5281/zenodo.######

A BibTeX entry for LaTeX users is

@misc{PyKED,
    author = {Kyle E Niemeyer},
    year = 2017,
    title = {PyTeCK v0.2.1},
    doi = {10.5281/zenodo.######},
    url = {https://github.com/kyleniemeyer/PyTeCK},
}

In both cases, please update the entry with the version used. The DOI for the latest version can be found in the badge at the top. If you would like to cite a specific, older version, the DOIs for each release are: