Metadata-Version: 1.1
Name: PyTeCK
Version: 0.2.2a2
Summary: Evaluation of chemical kinetic models with experimental data
Home-page: https://github.com/kyleniemeyer/PyTeCK
Author: Kyle E. Niemeyer
Author-email: kyle.niemeyer@gmail.com
License: MIT License
Description: PyTeCK
        ======
        
        |DOI| |Build Status| |Build Status| |codecov| |Dependency Status| |Code
        of Conduct| |License| |Anaconda|
        
        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 <http://contributor-covenant.org>`__ 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
        kyle.niemeyer@gmail.com 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 <https://github.com/kyleniemeyer/PyTeCK/blob/master/CITATION.md>`__
        for instructions on how to cite this resource directly.
        
        License
        -------
        
        PyTeCK is released under the MIT license; see
        `LICENSE <https://github.com/kyleniemeyer/PyTeCK/blob/master/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 <http://keepachangelog.com/>`__
        and this project adheres to `Semantic
        Versioning <http://semver.org/>`__.
        
        `Unreleased <https://github.com/kyleniemeyer/PyTeCK/compare/v0.2.1...HEAD>`__
        -----------------------------------------------------------------------------
        
        Added
        ~~~~~
        
        -  Adds DOI badge to README and CITATION
        -  Adds AppVeyor build status badge to README
        -  Adds restart option to skip existing results files.
        -  Updates PyKED version requirement and adds optional validation
           skipping
        
        Fixed
        ~~~~~
        
        -  Fixes ignition delay detection for 1/2 max type (only one value
           possible, rather than list)
        -  Fixes test for detecting peaks with min distance
        
        Changed
        ~~~~~~~
        
        `0.2.1 <https://github.com/kyleniemeyer/PyTeCK/compare/v0.2.0...0.2.1>`__ - 2017-04-14
        --------------------------------------------------------------------------------------
        
        Added
        ~~~~~
        
        -  Adds AppVeyor build for Windows conda packages
        -  Adds CONTRIBUTING guide
        
        `0.2.0 <https://github.com/kyleniemeyer/PyTeCK/compare/v0.1...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 <https://github.com/kyleniemeyer/PyTeCK/compare/e99f757b7ea644065a0ee65ce86dbfb8f404be60...v0.1>`__ - 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
        ==================
        
        |DOI|
        
        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
        
        .. code:: tex
        
            @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:
        
        -  v0.2.1:
           `10.5281/zenodo.546270 <https://doi.org/10.5281/zenodo.546270>`__
        
        .. |DOI| image:: https://zenodo.org/badge/53542212.svg
           :target: https://zenodo.org/badge/latestdoi/53542212
        .. |Build Status| image:: https://travis-ci.org/kyleniemeyer/PyTeCK.svg?branch=master
           :target: https://travis-ci.org/kyleniemeyer/PyTeCK
        .. |Build Status| image:: https://ci.appveyor.com/api/projects/status/a7a3prqgvfg8rr5f?svg=true
           :target: https://ci.appveyor.com/project/kyleniemeyer/pyteck
        .. |codecov| image:: https://codecov.io/gh/kyleniemeyer/PyTeCK/branch/master/graph/badge.svg
           :target: https://codecov.io/gh/kyleniemeyer/PyTeCK
        .. |Dependency Status| image:: https://dependencyci.com/github/kyleniemeyer/PyTeCK/badge
           :target: https://dependencyci.com/github/kyleniemeyer/PyTeCK
        .. |Code of Conduct| image:: https://img.shields.io/badge/code%20of%20conduct-contributor%20covenant-green.svg
           :target: http://contributor-covenant.org/version/1/4/
        .. |License| image:: https://img.shields.io/badge/license-MIT-blue.svg
           :target: https://opensource.org/licenses/MIT
        .. |Anaconda| image:: https://anaconda.org/kyleniemeyer/pyteck/badges/version.svg
           :target: https://anaconda.org/kyleniemeyer/pyteck
        
Keywords: chemical_kinetics
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Topic :: Scientific/Engineering :: Chemistry
