{ "info": { "author": "Kyle E. Niemeyer", "author_email": "kyle.niemeyer@gmail.com", "bugtrack_url": null, "classifiers": [ "Development Status :: 4 - Beta", "Intended Audience :: Developers", "Intended Audience :: Science/Research", "License :: OSI Approved :: MIT License", "Natural Language :: English", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3.5", "Programming Language :: Python :: 3.6", "Topic :: Scientific/Engineering :: Chemistry" ], "description": "PyTeCK\n======\n\n|DOI| |Build Status| |Build Status| |codecov| |Dependency Status| |Code\nof Conduct| |License| |Anaconda|\n\nThis software package automatically evaluates the performance of a\nchemical kinetic model using experimental data given in a specified YAML\nformat.\n\nInstallation\n------------\n\nThe easiest way to install PyTeCK is via ``conda``. You can install to\nyour environment with\n\n::\n\n > conda install -c kyleniemeyer pyteck\n\nwhich will also handle all the dependencies. Alternatively, you can\ninstall from PyPI with\n\n::\n\n > pip install pyteck\n\nIf you prefer to install manually, or want a particular version outside\nof the tagged releases distributed to those services, you can download\nthe source files from this repository, navigate to the directory, and\ninstall using either ``setuptools``\n\n::\n\n > python setup.py install\n\nor ``pip``\n\n::\n\n > pip install .\n\n``pip`` is recommended due to its easy uninstall option\n(``pip uninstall pyteck``).\n\nUsage\n-----\n\nOnce installed, the full list of options can be seen using ``pyteck -h``\nor ``pyteck --help``.\n\nCode of Conduct\n---------------\n\nIn order to have a more open and welcoming community, PyTeCK adheres to\na code of conduct adapted from the `Contributor\nCovenant `__ code of conduct.\n\nPlease adhere to this code of conduct in any interactions you have in\nthe PyTeCK community. It is strictly enforced on all official PyTeCK\nrepositories, websites, and resources. If you encounter someone\nviolating these terms, please let\n[@kyleniemeyer](https://github.com/kyleniemeyer) know via email at\nkyle.niemeyer@gmail.com and we will address it as soon as possible.\n\nCitation\n--------\n\nIf you use this package as part of a scholarly publication, please refer\nto\n`CITATION.md `__\nfor instructions on how to cite this resource directly.\n\nLicense\n-------\n\nPyTeCK is released under the MIT license; see\n`LICENSE `__\nfor details.\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\nFixed\n~~~~~\n\nChanged\n~~~~~~~\n\n`0.2.4 `__ - 2018-05-31\n--------------------------------------------------------------------------------------\n\nFixed\n~~~~~\n\n- Fixed ability to handle ChemKED files with uncertainty for various\n properties.\n- Updated handling of RCM volume history and compression time to PyKED\n v0.4.1\n- Fixed searching through composition dict for Ar and He\n- Fixed file-author -> file-authors in test files\n\nChanged\n~~~~~~~\n\n- Removed interpolation from end of integration (was never really\n necessary).\n\n`0.2.3 `__ - 2018-02-07\n--------------------------------------------------------------------------------------\n\nFixed\n~~~~~\n\n- Standard deviation calculator now averages any duplicates to avoid an\n error.\n\n`0.2.2 `__ - 2017-09-02\n--------------------------------------------------------------------------------------\n\nAdded\n~~~~~\n\n- Adds DOI badge to README and CITATION\n- Adds AppVeyor build status badge to README\n- Adds restart option to skip existing results files.\n- Updates PyKED version requirement and adds optional validation\n skipping\n\nFixed\n~~~~~\n\n- Fixes ignition delay detection for 1/2 max type (only one value\n possible, rather than list)\n- Fixes test for detecting peaks with min distance\n- Ensure time has units when 1/2 max target\n- Fixed handling of models with variants\n\nChanged\n~~~~~~~\n\n- Simulation input parameters now change units in place\n- Simulation input composition uses ChemKED Cantera functions\n\n`0.2.1 `__ - 2017-04-14\n--------------------------------------------------------------------------------------\n\nAdded\n~~~~~\n\n- Adds AppVeyor build for Windows conda packages\n- Adds CONTRIBUTING guide\n\n`0.2.0 `__ - 2017-04-13\n------------------------------------------------------------------------------------\n\nAdded\n~~~~~\n\n- Adds initial web documentation using Sphinx/Doctr\n- Deploys conda and PyPI packages with tagged releases\n\nChanged\n~~~~~~~\n\n- Major changes for compatibility with PyKED package and newer ChemKED\n format\n\n`0.1.0 `__ - 2016-07-12\n-----------------------------------------------------------------------------------------------------------------------\n\nAdded\n~~~~~\n\n- First published version of PyTeCK.\n- Supports validation using both shock tube and RCM experimental data\n in ChemKED format, but RCM not fully functional.\n\nCitation of PyTeCK\n==================\n\n|DOI|\n\nTo cite PyTeCK in a scholarly article, please use\n\n K. E. Niemeyer. (2017) PyTeCK v0.2.1 [software]. Zenodo.\n https://doi.org/10.5281/zenodo.546270\n\nA BibTeX entry for LaTeX users is\n\n.. code:: tex\n\n @misc{PyTeCK,\n author = {Kyle E Niemeyer},\n year = 2017,\n title = {{PyTeCK} v0.2.1},\n doi = {10.5281/zenodo.546270},\n url = {https://github.com/kyleniemeyer/PyTeCK},\n }\n\nIn both cases, please update the entry with the version used. The DOI\nfor the latest version can be found in the badge at the top. If you\nwould like to cite a specific, older version, the DOIs for each release\nare:\n\n- v0.2.1:\n `10.5281/zenodo.546270 `__\n\n.. |DOI| image:: https://zenodo.org/badge/53542212.svg\n :target: https://zenodo.org/badge/latestdoi/53542212\n.. |Build Status| image:: https://travis-ci.org/kyleniemeyer/PyTeCK.svg?branch=master\n :target: https://travis-ci.org/kyleniemeyer/PyTeCK\n.. |Build Status| image:: https://ci.appveyor.com/api/projects/status/a7a3prqgvfg8rr5f?svg=true\n :target: https://ci.appveyor.com/project/kyleniemeyer/pyteck\n.. |codecov| image:: https://codecov.io/gh/kyleniemeyer/PyTeCK/branch/master/graph/badge.svg\n :target: https://codecov.io/gh/kyleniemeyer/PyTeCK\n.. |Dependency Status| image:: https://dependencyci.com/github/kyleniemeyer/PyTeCK/badge\n :target: https://dependencyci.com/github/kyleniemeyer/PyTeCK\n.. |Code of Conduct| image:: https://img.shields.io/badge/code%20of%20conduct-contributor%20covenant-green.svg\n :target: http://contributor-covenant.org/version/1/4/\n.. |License| image:: https://img.shields.io/badge/license-MIT-blue.svg\n :target: https://opensource.org/licenses/MIT\n.. |Anaconda| image:: https://anaconda.org/kyleniemeyer/pyteck/badges/version.svg\n :target: https://anaconda.org/kyleniemeyer/pyteck\n\n\n", "description_content_type": "", "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/kyleniemeyer/PyTeCK", "keywords": "chemical_kinetics", "license": "MIT License", "maintainer": "", "maintainer_email": "", "name": "PyTeCK", "package_url": "https://pypi.org/project/PyTeCK/", "platform": "", "project_url": "https://pypi.org/project/PyTeCK/", "project_urls": { "Homepage": "https://github.com/kyleniemeyer/PyTeCK" }, "release_url": "https://pypi.org/project/PyTeCK/0.2.4/", "requires_dist": [ "pyyaml (<4.0,>=3.12)", "pint (>=0.7.2)", "numpy (>=1.13.0)", "tables", "pyked (>=0.4.1)", "scipy (>=0.19.0)" ], 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