Python interface to chemfiles
=============================

This is the documentation for the Python interface to the `chemfiles`_ library. This
interface uses Numpy, and is compatible with Python 2.7 and 3.4+, and Numpy 1.8 to
1.10.

.. _chemfiles: https://github.com/chemfiles/chemfiles

Installation
^^^^^^^^^^^^

Pre-built binaries
------------------

The easiest way to install this interface is to use the the
[``conda``](http://conda.pydata.org/docs/) package manager. It is part of the
Anaconda Python distribution, and can be installed separatly using the Miniconda
distribution. The command to install the chemfiles Python module with conda is:

.. code-block:: bash

    conda install -c https://conda.anaconda.org/luthaf chemfiles

Build from sources
------------------

You can also install this python module from sources if you have all the
[dependencies](http://chemfiles.readthedocs.org/en/latest/installation.html) of the
C++ library installed on your computer.

.. code-block:: bash

    git clone https://github.com/chemfiles/chemfiles.py
    cd chemfiles.py
    git submodule update --init
    pip install .

User documentation
^^^^^^^^^^^^^^^^^^

This section contains example of how to use ``chemfiles``, and the complete interface
reference for all the types and subroutines in chemfiles.

.. toctree::
   :maxdepth: 2

   examples
   reference