Package for manipulating Chemical Kinetics Experimental Data (ChemKED) files.
Project description
PyKED
PyKED is a Python-based software package for validating and interacting with ChemKED (Chemical Kinetics Experimental Data format) files that describe fundamental experimental measurements of combustion phenomena.
An installation guide, usage examples, and API docs are provided in the online documentation: https://pr-omethe-us.github.io/PyKED/
Code of Conduct
In order to have a more open and welcoming community, PyKED adheres to a code of conduct adapted from the Contributor Covenant code of conduct. The code of conduct for PyKED is available in the GitHub Repository in the CODE_OF_CONDUCT.md file.
Please adhere to this code of conduct in any interactions you have in the PyKED community. It is strictly enforced on all official PyKED repositories, websites, and resources. If you encounter someone violating these terms, please let a maintainer ([@kyleniemeyer](https://github.com/kyleniemeyer), [@bryanwweber](https://github.com/bryanwweber), or via email at chemked@googlegroups.com) know and we will address it as soon as possible.
License
PyKED is released under the BSD-3 clause license, see LICENSE for details.
If you use this package as part of a scholarly work, please refer to CITATION.md for guidance on citing this resource.
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
Fixes Cantera convenience output functions
Changed
0.2.0 - 2017-08-10
Added
Adds ChemKED method to write new file, with tests
Adds converters to and from ReSpecTh files, with tests
Adds command-line entry points for converter scripts
Add docs for converters
Fixed
ignition_type dictionary in DataPoint is now deepcopyd
0.1.6 - 2017-07-17
Added
Added logo files to repo
Added first_stage_ignition_delay, compressed_pressure, and compressed_temperature as properties
Changed
Added Zenodo collection DOI to CITATION.md
0.1.5 - 2017-05-22
Added
Schema can now be split into multiple files via !include directive
Fixed
Remove Python 2.7 classifier from setup.py
DataFrame output for datapoints lists with multiple compositions (i.e., a species not in all compositions)
Changed
Improved tests with no internet
Improved tests with no warning
0.1.4 - 2017-04-21
Added
Add skip_validation keyword argument to the ChemKED initializer
Removed
Python 2.7 support is removed again
0.1.3 - 2017-04-13
Added
Add back Python 2.7 support
Add Appveyor builds for Windows conda packages
0.1.2 - 2017-04-13
Added
Tests of the composition uncertainty in the DataPoint
Tests of the values in the references
Packaging for conda and PyPI
Add Anaconda-Server badge to README
Changed
All fixed DOIs in CITATION.md are now specified with placeholders
0.1.1 - 2017-04-02
Added
Added Zenodo DOI badge to README
Added CITATION file, and mention of license to README
Fixed
Fixed chemked-version bug in schema introduced in 0.1.0
0.1.0 - 2017-04-02
Added
First minor release of PyKED, supporting autoignition experiments.
Basic API documentation is available via https://pr-omethe-us.github.io/PyKED/
Citation of PyKED
To cite PyKED in a scholarly article, please use
K. E. Niemeyer and B. W. Weber. (2017) PyKED v0.2.0 [software]. Zenodo. https://doi.org/10.5281/zenodo.597935
A BibTeX entry for LaTeX users is
@misc{PyKED,
author = {Kyle E Niemeyer and Bryan W Weber},
year = 2017,
title = {PyKED v0.2.0},
doi = {10.5281/zenodo.597935},
url = {https://github.com/pr-omethe-us/PyKED},
}
In both cases, please update the entry with the version used. The DOI for the latest version is given in the badge at the top, or alternately https://doi.org/10.5281/zenodo.597935 will take you to the latest version (and generally represents all versions). If you would like to cite a specific, older version, the DOIs for each release are:
v0.1.6: 10.5281/zenodo.831332
v0.1.5: 10.5281/zenodo.582345
v0.1.4: 10.5281/zenodo.582338
v0.1.3: 10.5281/zenodo.439720
v0.1.2: 10.5281/zenodo.439720
v0.1.1: 10.5281/zenodo.439720
v0.1.0: 10.5281/zenodo.439716
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