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

1. Via pip (recommend):

   pip install catplot
   

2. From source:

   python setup.py install
   

See examples for more details(Continuously updated).

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:

You can use CatPlot to plot abstract lattice grid, see example for details.

Result:

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

Result:

├── LICENSE                         # License file
├── MANIFEST.in                     # Define the list of files to include in the distribution
├── README.rst                      # This file
├── catplot                         # Main catplot pacakge
│   ├── __init__.py
│   ├── canvas.py                   # 2D & 3D base canvas
│   ├── chem_parser.py              # Chemical expression parser
│   ├── descriptors.py              # Python descriptors
│   ├── ep_components               # Energy profile components
│   │   ├── __init__.py
│   │   ├── ep_canvas.py            # Energy profile canvas
│   │   ├── ep_chain.py             # Energy profile chain
│   │   ├── ep_lines.py             # Energy profiles line
│   ├── grid_components             # Grid plotting components
│   │   ├── __init__.py
│   │   ├── edges.py                # Edge in grid graph
│   │   ├── grid_canvas.py          # Grid canvas
│   │   ├── nodes.py                # Node in grid graph
│   │   ├── planes.py               # Plane in 3D canvas
│   │   ├── supercell.py            # Supercell in a grid
│   ├── interpolate.py              # Interpolation algorithms implementation
├── examples                        # Jupyter Notebook examples
│   ├── energy_profile_examples
│   ├── grid_2d_examples
│   └── grid_3d_examples
├── pic
├── requirements.txt                # Python dependencies
├── scripts                         # Plotting script
│   └── multiplot
├── setup.cfg
├── setup.py                        # Python setup script
└── tests                           # Unit test
    ├── arrow_2d_test.py
    ├── catplot_test.py
    ├── edge_2d_test.py
    ├── edge_3d_test.py
    ├── elementary_line_test.py
    ├── ep_canvas_test.py
    ├── ep_chain_test.py
    ├── grid_2d_canvas_test.py
    ├── grid_3d_canvas_test.py
    ├── node_2d_test.py
    ├── node_3d_test.py
    ├── plane_3d_test.py
    ├── supercell_2d_test.py
    ├── supercell_3d_test.py