Metadata-Version: 1.0
Name: crystal_torture
Version: 1.0.0
Summary: A Crystal Tortuosity Module
Home-page: https://github.com/connorourke/crystaltorture
Author: Conn O'Rourke
Author-email: conn.orourke@gmail.com
License: MIT
Description: |Build Status| |Coverage Status|
        
        **crystal\_torture:**
        ~~~~~~~~~~~~~~~~~~~~~
        
        ``crystal_torture`` is a Python, Fortran and OpenMP crystal structure
        analysis module. The module contains a set of classes that enable:
        
        -  a crystal structure to be converted into a graph for network analysis
        -  connected clusters of crystal sites (nodes) to be retrieved and
           output
        -  periodicity of connected clusters of crystal sites to be determined
        -  relative path tortuosity to traverse a crystal within a connected
           cluster to be calculated for each site
        
        Installation
        ------------
        
        ::
        
            pip install crystal_torture
        
        or download directly from
        `GitHub <http://github.com/connorourke/crystal_torture/releases>`__, or
        clone:
        
        ::
        
             git clone https://github.com/connorourke/crystal_torture
        
        and install
        
        ::
        
            cd crystal_torture
            python setup.py install
        
        Tests
        -----
        
        ``crystal_torture`` is automatically tested on each commit
        `here <http://travis-ci.org/connorourke/crystal_torture>`__, but the
        tests can be manually run:
        
        ::
        
            python -m unittest discover
        
        Examples
        --------
        
        Examples on how to use ``crystal_torture`` can be found in a Jupyter
        notebook in the ``examples`` directory
        `crystal\_torture\_examples.ipynb <http://nbviewer.jupyter.org/github/connorourke/crystal_torture/blob/master/examples/crystal_torture_examples.ipynb>`__
        
        Documentation
        -------------
        
        Documentation can be found
        `here <https://crystal-torture.readthedocs.io/en/latest/>`__
        
        .. |Build Status| image:: https://travis-ci.com/connorourke/crystal_torture.svg?token=nTMqYYEUasQRTBsU6oCc&branch=master
           :target: https://travis-ci.com/connorourke/crystal_torture
        .. |Coverage Status| image:: https://coveralls.io/repos/github/connorourke/crystal_torture/badge.svg?branch=master
           :target: https://coveralls.io/github/connorourke/crystal_torture?branch=master
        
Platform: UNKNOWN
