{ "info": { "author": "Conn O'Rourke", "author_email": "conn.orourke@gmail.com", "bugtrack_url": null, "classifiers": [], "description": "|JOSS status| |PyPI version| |Build Status| |Coverage Status| |Documentation Status| |Python 3.5| |Python 3.6| |Python 3.7|\n\n**crystal\\_torture:**\n---------------------\n\n``crystal_torture`` is a Python, Fortran and OpenMP crystal structure\nanalysis module. The module contains a set of classes that enable:\n\n- a crystal structure to be converted into a graph for network analysis\n- connected clusters of crystal sites (nodes) to be retrieved and\n output\n- periodicity of connected clusters of crystal sites to be determined\n- relative path tortuosity to traverse a crystal within a connected\n cluster to be calculated for each site\n\nInstallation\n------------\n\n``crystal_torture`` requires python 3.5 and above. To install do:\n\n::\n\n pip install crystal_torture\n\nor download directly from\n`GitHub `__, or\nclone:\n\n::\n\n git clone https://github.com/connorourke/crystal_torture\n\nand install\n\n::\n\n cd crystal_torture\n python setup.py install\n\nTests\n-----\n\n``crystal_torture`` is automatically tested on each commit\n`here `__, but the\ntests can be manually run:\n\n::\n\n python -m unittest discover\n\nExamples\n--------\n\nExamples on how to use ``crystal_torture`` can be found in a Jupyter\nnotebook in the ``examples`` directory\n`crystal\\_torture\\_examples.ipynb `__\n\nDocumentation\n-------------\n\nDocumentation can be found\n`here `__\n\n.. |JOSS status| image:: http://joss.theoj.org/papers/c3d8e702ecfee04f16a0ad6f14d96419/status.svg\n :target: http://joss.theoj.org/papers/c3d8e702ecfee04f16a0ad6f14d96419\n.. |PyPI version| image:: https://badge.fury.io/py/crystal-torture.svg \n :target: https://badge.fury.io/py/crystal-torture\n.. |Build Status| image:: https://travis-ci.com/connorourke/crystal_torture.svg?token=nTMqYYEUasQRTBsU6oCc&branch=master\n :target: https://travis-ci.com/connorourke/crystal_torture\n.. |Coverage Status| image:: https://coveralls.io/repos/github/connorourke/crystal_torture/badge.svg?branch=master\n :target: https://coveralls.io/github/connorourke/crystal_torture?branch=master\n.. |Documentation Status| image:: https://readthedocs.org/projects/crystal-torture/badge/?version=latest\n :target: https://crystal-torture.readthedocs.io/en/latest/?badge=latest\n.. |Python 3.5| image:: https://img.shields.io/badge/python-3.5-blue.svg \n :target: https://www.python.org/downloads/release/python-360/\n.. |Python 3.6| image:: https://img.shields.io/badge/python-3.6-blue.svg \n :target: https://www.python.org/downloads/release/python-360/\n.. |Python 3.7| image:: https://img.shields.io/badge/python-3.7-blue.svg \n :target: https://www.python.org/downloads/release/python-360/", "description_content_type": "", "docs_url": 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