Metadata-Version: 2.1
Name: svante
Version: 0.2.4
Summary: Configurable Arrhenius plots with uncertainties and ratios
Home-page: https://github.com/hydrationdynamics/svante
License: BSD-3-Clause
Keywords: science,chemistry,physical chemistry,kinetics,rate coefficients,temperature dependence
Author: Joel Berendzen
Author-email: joel@generisbio.com
Requires-Python: >=3.7.1,<3.10
Classifier: Development Status :: 4 - Beta
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Dist: Pint
Requires-Dist: attrs
Requires-Dist: colorama
Requires-Dist: importlib-metadata (>=0.23,<0.24); python_version < "3.8"
Requires-Dist: loguru
Requires-Dist: matplotlib
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: pydove
Requires-Dist: schema
Requires-Dist: scipy
Requires-Dist: shellingham (>=1.4.0,<2.0.0)
Requires-Dist: tabulate
Requires-Dist: toml (>=0.10.2,<0.11.0)
Requires-Dist: typer
Requires-Dist: uncertainties
Project-URL: Changelog, https://github.com/joelb123/svante/releases
Project-URL: Documentation, https://svante.readthedocs.io
Project-URL: Repository, https://github.com/hydrationdynamics/svante
Description-Content-Type: text/x-rst

=======================
Svante: Arrhenius Plots
=======================
.. badges-begin

| |PyPi| |Python Version| |Repo| |Downloads| |Dlrate|
| |License| |Tests| |Coverage| |Codacy| |Issues| |Health|

.. |PyPI| image:: https://img.shields.io/pypi/v/svante.svg
   :target: https://pypi.org/project/svante/
   :alt: PyPI package
.. |Python Version| image:: https://img.shields.io/pypi/pyversions/svante
   :target: https://pypi.org/project/svante
   :alt: Supported Python Versions
.. |Repo| image:: https://img.shields.io/github/last-commit/hydrationdynamics/svante
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.. |Downloads| image:: https://pepy.tech/badge/svante
     :target: https://pepy.tech/project/pytest_datadir_mgr
     :alt: Download stats
.. |Dlrate| image:: https://img.shields.io/pypi/dm/svante
   :target: https://github.com/hydrationdynamics/svante
   :alt: PYPI download rate
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    :target: https://github.com/hydrationdynamics/svante/blob/master/LICENSE.txt
    :alt: License terms
.. |Tests| image:: https://github.com/hydrationdynamics/svante/workflows/Tests/badge.svg
   :target: https://github.com/hydrationdynamics/svante/actions?workflow=Tests
   :alt: Tests
.. |Coverage| image:: https://codecov.io/gh/hydrationdynamics/svante/branch/main/graph/badge.svg
    :target: https://codecov.io/gh/hydrationdynamics/svante
    :alt: Codecov.io test coverage
.. |Codacy| image:: https://api.codacy.com/project/badge/Grade/d9c8687d3c544049a293b2faf8919c07
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    :alt: Codacy.io grade
.. |Issues| image:: https://img.shields.io/github/issues/hydrationdynamics/svante.svg
    :target:  https://github.com/hydrationdynamics/svante/issues
    :alt: Issues reported
.. |Read the Docs| image:: https://img.shields.io/readthedocs/svante/latest.svg?label=Read%20the%20Docs
   :target: https://svante.readthedocs.io/
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.. |Health| image:: https://snyk.io/advisor/python/svante/badge.svg
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  :alt: Snyk health

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.. image:: https://raw.githubusercontent.com/hydrationdynamics/svante/main/docs/_static/logo.png
   :target: https://raw.githubusercontent.com/hydrationdynamics/svante/main/LICENSE.artwork.txt
   :alt: Fly Svante logo

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   :target: https://codecov.io/gh/hydrationdynamics/svante
   :alt: Codecov

Features
--------

* Combines rates from multiple input `TSV files`_ using `pandas`_
* Handles `uncertainties`_ in rates and temperatures
* Creates `Arrhenius plots`_ using `Matplotlib`_
* Fits activation enthalpies and prefactors to rates
* Optionally, plots ratios of two rates


Requirements
------------

* Tested on Python 3.7 to 3.9 on Linux and Mac


Installation
------------

You can install *Svante* via pip_ from PyPI_:

.. code:: console

   $ pip install svante


Usage
-----

Please see the `Command-line Reference <Usage_>`_ for details.


Contributing
------------

Contributions are very welcome.
To learn more, see the `Contributor Guide`_.


License
-------

Distributed under the terms of the `BSD 3-Clause license`_,
*Svante* is free and open source software.


Issues
------

If you encounter any problems,
please `file an issue`_ along with a detailed description.


Credits
-------

Svante was written by Joel Berendzen.


.. _TSV files: https://en.wikipedia.org/wiki/Tab-separated_values
.. _pandas: https://pandas.pydata.org/
.. _uncertainties: https://uncertainties-python-package.readthedocs.io/en/latest/user_guide.html
.. _Arrhenius plots: https://en.wikipedia.org/wiki/Arrhenius_plot
.. _Matplotlib: https://matplotlib.org/
.. _BSD 3-Clause license: https://opensource.org/licenses/BSD-3-Clause
.. _PyPI: https://pypi.org/
.. _file an issue: https://github.com/joelb123/svante/issues
.. _pip: https://pip.pypa.io/
.. github-only
.. _Contributor Guide: CONTRIBUTING.rst
.. _Usage: https://svante.readthedocs.io/en/latest/usage.html

