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GeezerVison is showing github.com — GitHub - PytLab/catplot: A Python Library for Energy Profile and Abstract Grid(2D/3D) plotting

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scripts/multiplot
 
 
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.coveragerc
 
 
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.travis.yml
 
 
LICENSE
LICENSE
 
 
MANIFEST.in
MANIFEST.in
 
 
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README.rst
 
 
requirements.txt
requirements.txt
 
 
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setup.cfg
 
 
setup.py
setup.py
 
 

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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
    

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

About

A Python Library for Energy Profile and Abstract Grid(2D/3D) plotting

pypi.python.org/pypi/catplot/

Topics

catalystchemistrydata-visualizationenergy-profilelattice

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