catplot 1.2.0

A Python Library for Energy Profile Plotting

=======
catplot
=======

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Introduction
------------
**CatPlot** is a Python Library for Energy Profile and Abstract Grid(2D/3D) plotting.

Installation
------------
1. Via pip (recommend)::

pip install catplot

2. From source::

python setup.py install

Energy Profile Plotting
-----------------------
**CatPlot** can plot energy profile using interpolation algorithm.

See `examples <https://github.com/PytLab/catplot/tree/master/examples>`_ for more details(Continuously updated).

Plot an energy profile for an elementary reaction.

.. code-block:: python

>>> from catplot.ep_components.ep_canvas import EPCanvas
>>> from catplot.ep_components.ep_lines import ElementaryLine

# Create an energy profile canvas.
>>> canvas = EPCanvas()

# Create an energy profile line.
>>> line = ElementaryLine([0.0, 1.2, 0.8])

# Add line to canvas.
>>> canvas.add_line(line)

# Plot it.
>>> canvas.draw()
>>> canvas.figure.show()

Result:

.. image:: https://github.com/PytLab/catplot/blob/master/pic/energy_profile.png


2D Grid Plotting
----------------

You can use **CatPlot** to plot abstract lattice grid, see `example <https://github.com/PytLab/catplot/tree/master/examples/grid_2d_examples/expand_supercell.ipynb>`_ for details.

Result:

.. image:: https://github.com/PytLab/catplot/blob/master/pic/grid_2d.png

3D Grid Plotting
----------------

Now **CatPlot** can plot abstract 3D lattice grid, see `example <https://github.com/PytLab/catplot/tree/master/examples/grid_3d_examples/expand_3d_supercell.ipynb>`_ for plot details.

.. image:: https://github.com/PytLab/catplot/blob/master/pic/grid_3d.png

Important update log
--------------------

.. csv-table::
:header: "Date", "Version", "Description"

"2017-04-23", "1.2.0", "Add 3D grid plotting"
"2017-04-17", "1.1.0", "Add 2D grid plotting"
"2017-04-10", "1.0.0", "A brand new CatPlot"
"2015-08-03", "0.0.1", "Intial Version"