Package: pyked
PyKEDPyKED 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 ConductIn order to have a more open and welcoming community, PyKED adheres to a
code of conduct adapted from theContributor
Covenantcode of conduct. The code
of conduct for PyKED is available in the GitHub Repository in theCODE_OF_CONDUCT.mdfile.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 atchemked@googlegroups.com) know and we will address it as soon as
possible.LicensePyKED 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 LogAll notable changes to this project will be documented in this file.The format is based onKeep a Changelogand this project adheres toSemantic
Versioning.UnreleasedAddedChangedFixed0.4.1- 2018-03-09AddedDocumentation for old versions is available on the Releases page of
the docsChangedFixedDoctr deploys on tags nowSyntax changes for example files in the documentation0.4.0- 2018-03-07AddedNew method to instantiate aChemKEDclass directly from a
ReSpecTh XML fileThe__version__attribute can be imported from the top-level
moduleNewtime-historiesfield to replace thevolume-history. This
field allows specification of several other relevant parameters
besides volume.Addedrcm-datafield and movedcompressed-temperature,compressed-pressure, andcompression-timeto this fieldAddedstroke,clearance, andcompression-ratioto thercm-datafieldAdded conda-forge instructions to the installation documentationAllow alpha versions to be specified during testingChangedCrossref lookups via Habanero now comply with the “be-nice” policyRemovedUnboundLocalErrorfrom error processing for reference
validationSwitch to flake8 for style checking in CI servicesfile-authorfield is now a list calledfile-authorsReSpecTh->ChemKED converter function now returns a dictionary, while
the command-line entry points write out filesRequire Habanero>=0.6.0 to support themailtoargumentRequire pytest>=3.2.0 to support thepytest.mark.filterwarningsdecoratorDeprecate thevolume-historyfield in the ChemKED YAML file and
replace withtime-historiesORCID lookups are now done by a function in the localorcid.pymodule, removing an external dependencyComposition in aDataPointis now stored in a dictionary ofnamedtuples (calledComposition) rather than a list of
dictionariesFixedCrossref lookups in the converters use the common API instance from
validationd/dt max extrapolatedignition type can be converted to/from
ReSpecThTests now check for appropriate warnings and ignore unrelated
warnings0.3.0- 2017-10-09AddedNew extrapolated ignition type, where the maximum slope is
extrapolated to the baselineTests that the composition type is stored properly in theDataPointspecies_conversiondictionary can be passed to theget_cantera_mole_fractionandget_cantera_mass_fractionfunctions to change the name of a species in the output stringJupyter Notebook examples of usageRemovedRemoveselemental-compositionas a synonym foratomic-compositionFixedFixestest_incorrect_doi_period_at_enddocstringChangedConda builds are now noarch - one package for all Pythons!pip installs now require Python compatible with 3.5Appveyor runs a single job and no longer builds conda packagesRemove journal from required fields in the reference0.2.1- 2017-08-31FixedFixes Cantera convenience output functions0.2.0- 2017-08-10AddedAdds ChemKED method to write new file, with testsAdds converters to and from ReSpecTh files, with testsAdds command-line entry points for converter scriptsAdd docs for convertersFixedignition_typedictionary inDataPointis nowdeepcopyd0.1.6- 2017-07-17AddedAdded logo files to repoAddedfirst_stage_ignition_delay,compressed_pressure, andcompressed_temperatureas propertiesChangedAdded Zenodo collection DOI to CITATION.md0.1.5- 2017-05-22AddedSchema can now be split into multiple files via!includedirectiveFixedRemove Python 2.7 classifier fromsetup.pyDataFrame output for datapoints lists with multiple compositions
(i.e., a species not in all compositions)ChangedImproved tests with no internetImproved tests with no warning0.1.4- 2017-04-21AddedAddskip_validationkeyword argument to theChemKEDinitializerRemovedPython 2.7 support is removed again0.1.3- 2017-04-13AddedAdd back Python 2.7 supportAdd Appveyor builds for Windows conda packages0.1.2- 2017-04-13AddedTests of the composition uncertainty in the DataPointTests of the values in the referencesPackaging for conda and PyPIAdd Anaconda-Server badge to READMEChangedAll fixed DOIs in CITATION.md are now specified with placeholders0.1.1- 2017-04-02AddedAdded Zenodo DOI badge to READMEAdded CITATION file, and mention of license to READMEFixedFixed chemked-version bug in schema introduced in 0.1.00.1.0- 2017-04-02AddedFirst minor release of PyKED, supporting autoignition experiments.Basic API documentation is available viahttps://pr-omethe-us.github.io/PyKED/Citation of PyKEDTo cite PyKED in a scholarly article, please useK. E. Niemeyer and B. W. Weber. (2018) PyKED v0.4.1 [software].
Zenodo.https://doi.org/10.5281/zenodo.597935A BibTeX entry for LaTeX users is@misc{PyKED,
    author ={Kyle E Niemeyer and Bryan W Weber},
    year = 2017,
    title ={PyKED v0.4.1},
    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 alternatelyhttps://doi.org/10.5281/zenodo.597935will 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:v0.4.0:10.5281/zenodo.1193936v0.3.0:10.5281/zenodo.1006722v0.2.1:10.5281/zenodo.858441v0.2.0:10.5281/zenodo.841303v0.1.6:10.5281/zenodo.831332v0.1.5:10.5281/zenodo.582345v0.1.4:10.5281/zenodo.582338v0.1.3:10.5281/zenodo.439720v0.1.2:10.5281/zenodo.439720v0.1.1:10.5281/zenodo.439720v0.1.0:10.5281/zenodo.439716