A Python Library for Energy Profile and 2D/3D Lattice Grid Plotting


License
MIT-feh
Install
pip install catplot==1.3.0

Documentation

catplot

Build Status Code Health platform versions

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
    

See examples for more details(Continuously updated).

Energy Profile Plotting

CatPlot can plot energy profile using interpolation algorithm.

Plot an energy profile for an elementary reaction.

>>> 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:

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 for details.

Result:

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

3D Grid Plotting

Now CatPlot can plot abstract 3D lattice grid, see example for plot details.

Result:

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

Important update log

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