{ "info": { "author": "Kyle Niemeyer", "author_email": "kyle.niemeyer@gmail.com", "bugtrack_url": null, "classifiers": [ "Development Status :: 3 - Alpha", "Intended Audience :: Developers", "Intended Audience :: Science/Research", "License :: OSI Approved :: BSD License", "Natural Language :: English", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3.5", "Programming Language :: Python :: 3.6", "Topic :: Scientific/Engineering :: Chemistry" ], "description": "PyKED\n=====\n\n|DOI| |Travis Build Status| |Appveyor Build status| |codecov|\n|Dependency Status| |Code of Conduct| |License| |Anaconda-Server Badge|\n\nPyKED is a Python-based software package for validating and interacting\nwith ChemKED (Chemical Kinetics Experimental Data format) files that\ndescribe fundamental experimental measurements of combustion phenomena.\n\nAn installation guide, usage examples, and API docs are provided in the\nonline documentation: https://pr-omethe-us.github.io/PyKED/\n\nCode of Conduct\n---------------\n\nIn order to have a more open and welcoming community, PyKED adheres to a\ncode of conduct adapted from the `Contributor\nCovenant `__ code of conduct. The code\nof conduct for PyKED is available in the GitHub Repository in the\n`CODE\\_OF\\_CONDUCT.md `__\nfile.\n\nPlease adhere to this code of conduct in any interactions you have in\nthe PyKED community. It is strictly enforced on all official PyKED\nrepositories, websites, and resources. If you encounter someone\nviolating these terms, please let a maintainer\n([@kyleniemeyer](https://github.com/kyleniemeyer),\n[@bryanwweber](https://github.com/bryanwweber), or via email at\nchemked@googlegroups.com) know and we will address it as soon as\npossible.\n\nLicense\n-------\n\nPyKED is released under the BSD-3 clause license, see LICENSE for\ndetails.\n\nIf you use this package as part of a scholarly work, please refer to\nCITATION.md for guidance on citing this resource.\n\nChange Log\n==========\n\nAll notable changes to this project will be documented in this file.\n\nThe format is based on `Keep a Changelog `__\nand this project adheres to `Semantic\nVersioning `__.\n\n`Unreleased `__\n----------------------------------------------------------------------------\n\nAdded\n~~~~~\n\nChanged\n~~~~~~~\n\nFixed\n~~~~~\n\n`0.4.1 `__ - 2018-03-09\n--------------------------------------------------------------------------------------\n\nAdded\n~~~~~\n\n- Documentation for old versions is available on the Releases page of\n the docs\n\nChanged\n~~~~~~~\n\nFixed\n~~~~~\n\n- Doctr deploys on tags now\n- Syntax changes for example files in the documentation\n\n`0.4.0 `__ - 2018-03-07\n--------------------------------------------------------------------------------------\n\nAdded\n~~~~~\n\n- New method to instantiate a ``ChemKED`` class directly from a\n ReSpecTh XML file\n- The ``__version__`` attribute can be imported from the top-level\n module\n- New ``time-histories`` field to replace the ``volume-history``. This\n field allows specification of several other relevant parameters\n besides volume.\n- Added ``rcm-data`` field and moved ``compressed-temperature``,\n ``compressed-pressure``, and ``compression-time`` to this field\n- Added ``stroke``, ``clearance``, and ``compression-ratio`` to the\n ``rcm-data`` field\n- Added conda-forge instructions to the installation documentation\n- Allow alpha versions to be specified during testing\n\nChanged\n~~~~~~~\n\n- Crossref lookups via Habanero now comply with the \"be-nice\" policy\n- Removed ``UnboundLocalError`` from error processing for reference\n validation\n- Switch to flake8 for style checking in CI services\n- ``file-author`` field is now a list called ``file-authors``\n- ReSpecTh->ChemKED converter function now returns a dictionary, while\n the command-line entry points write out files\n- Require Habanero>=0.6.0 to support the ``mailto`` argument\n- Require pytest>=3.2.0 to support the ``pytest.mark.filterwarnings``\n decorator\n- Deprecate the ``volume-history`` field in the ChemKED YAML file and\n replace with ``time-histories``\n- ORCID lookups are now done by a function in the local ``orcid.py``\n module, removing an external dependency\n- Composition in a ``DataPoint`` is now stored in a dictionary of\n ``namedtuple``\\ s (called ``Composition``) rather than a list of\n dictionaries\n\nFixed\n~~~~~\n\n- Crossref lookups in the converters use the common API instance from\n validation\n- ``d/dt max extrapolated`` ignition type can be converted to/from\n ReSpecTh\n- Tests now check for appropriate warnings and ignore unrelated\n warnings\n\n`0.3.0 `__ - 2017-10-09\n--------------------------------------------------------------------------------------\n\nAdded\n~~~~~\n\n- New extrapolated ignition type, where the maximum slope is\n extrapolated to the baseline\n- Tests that the composition type is stored properly in the\n ``DataPoint``\n- ``species_conversion`` dictionary can be passed to the\n ``get_cantera_mole_fraction`` and ``get_cantera_mass_fraction``\n functions to change the name of a species in the output string\n- Jupyter Notebook examples of usage\n\nRemoved\n~~~~~~~\n\n- Removes ``elemental-composition`` as a synonym for\n ``atomic-composition``\n\nFixed\n~~~~~\n\n- Fixes ``test_incorrect_doi_period_at_end`` docstring\n\nChanged\n~~~~~~~\n\n- Conda builds are now noarch - one package for all Pythons!\n- pip installs now require Python compatible with 3.5\n- Appveyor runs a single job and no longer builds conda packages\n- Remove journal from required fields in the reference\n\n`0.2.1 `__ - 2017-08-31\n--------------------------------------------------------------------------------------\n\nFixed\n~~~~~\n\n- Fixes Cantera convenience output functions\n\n`0.2.0 `__ - 2017-08-10\n--------------------------------------------------------------------------------------\n\nAdded\n~~~~~\n\n- Adds ChemKED method to write new file, with tests\n- Adds converters to and from ReSpecTh files, with tests\n- Adds command-line entry points for converter scripts\n- Add docs for converters\n\nFixed\n~~~~~\n\n- ``ignition_type`` dictionary in ``DataPoint`` is now ``deepcopy``\\ d\n\n`0.1.6 `__ - 2017-07-17\n--------------------------------------------------------------------------------------\n\nAdded\n~~~~~\n\n- Added logo files to repo\n- Added ``first_stage_ignition_delay``, ``compressed_pressure``, and\n ``compressed_temperature`` as properties\n\nChanged\n~~~~~~~\n\n- Added Zenodo collection DOI to CITATION.md\n\n`0.1.5 `__ - 2017-05-22\n--------------------------------------------------------------------------------------\n\nAdded\n~~~~~\n\n- Schema can now be split into multiple files via ``!include``\n directive\n\nFixed\n~~~~~\n\n- Remove Python 2.7 classifier from ``setup.py``\n- DataFrame output for datapoints lists with multiple compositions\n (i.e., a species not in all compositions)\n\nChanged\n~~~~~~~\n\n- Improved tests with no internet\n- Improved tests with no warning\n\n`0.1.4 `__ - 2017-04-21\n--------------------------------------------------------------------------------------\n\nAdded\n~~~~~\n\n- Add ``skip_validation`` keyword argument to the ``ChemKED``\n initializer\n\nRemoved\n~~~~~~~\n\n- Python 2.7 support is removed again\n\n`0.1.3 `__ - 2017-04-13\n--------------------------------------------------------------------------------------\n\nAdded\n~~~~~\n\n- Add back Python 2.7 support\n- Add Appveyor builds for Windows conda packages\n\n`0.1.2 `__ - 2017-04-13\n--------------------------------------------------------------------------------------\n\nAdded\n~~~~~\n\n- Tests of the composition uncertainty in the DataPoint\n- Tests of the values in the references\n- Packaging for conda and PyPI\n- Add Anaconda-Server badge to README\n\nChanged\n~~~~~~~\n\n- All fixed DOIs in CITATION.md are now specified with placeholders\n\n`0.1.1 `__ - 2017-04-02\n--------------------------------------------------------------------------------------\n\nAdded\n~~~~~\n\n- Added Zenodo DOI badge to README\n- Added CITATION file, and mention of license to README\n\nFixed\n~~~~~\n\n- Fixed chemked-version bug in schema introduced in 0.1.0\n\n`0.1.0 `__ - 2017-04-02\n------------------------------------------------------------------------------------------------------------------------\n\nAdded\n~~~~~\n\n- First minor release of PyKED, supporting autoignition experiments.\n- Basic API documentation is available via\n https://pr-omethe-us.github.io/PyKED/\n\nCitation of PyKED\n=================\n\n|DOI|\n\nTo cite PyKED in a scholarly article, please use\n\n K. E. Niemeyer and B. W. Weber. (2018) PyKED v0.4.1 [software].\n Zenodo. https://doi.org/10.5281/zenodo.597935\n\nA BibTeX entry for LaTeX users is\n\n.. code:: tex\n\n @misc{PyKED,\n author = {Kyle E Niemeyer and Bryan W Weber},\n year = 2017,\n title = {PyKED v0.4.1},\n doi = {10.5281/zenodo.597935},\n url = {https://github.com/pr-omethe-us/PyKED},\n }\n\nIn both cases, please update the entry with the version used. The DOI\nfor the latest version is given in the badge at the top, or alternately\nhttps://doi.org/10.5281/zenodo.597935 will take you to the latest\nversion (and generally represents all versions). 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