https://github.com/chrisjsewell/ase-notebook

Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
https://github.com/chrisjsewell/ase-notebook

ase jupyter-notebook notebook pymatgen-structures svg threejs visualisation

Last synced: 7 days ago
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Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.

• Host: GitHub
• URL: https://github.com/chrisjsewell/ase-notebook
• Owner: chrisjsewell
• License: mit
• Created: 2019-11-08T11:05:30.000Z (about 5 years ago)
• Default Branch: master
• Last Pushed: 2022-12-08T06:50:59.000Z (almost 2 years ago)
• Last Synced: 2024-10-31T19:41:43.881Z (14 days ago)
• Topics: ase, jupyter-notebook, notebook, pymatgen-structures, svg, threejs, visualisation
• Language: Python
• Homepage: https://ase-notebook.readthedocs.io
• Size: 216 KB
• Stars: 27
• Watchers: 3
• Forks: 8
• Open Issues: 28
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# ase-notebook

[![CI Status](https://travis-ci.org/chrisjsewell/ase-notebook.svg?branch=develop)](https://travis-ci.org/chrisjsewell/ase-notebook)

[![Coverage](https://coveralls.io/repos/github/chrisjsewell/ase-notebook/badge.svg?branch=develop)](https://coveralls.io/github/chrisjsewell/ase-notebook?branch=develop)

[![CircleCI](https://circleci.com/gh/chrisjsewell/ase-notebook.svg?style=svg)](https://circleci.com/gh/chrisjsewell/ase-notebook)

[![Code style: black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/ambv/black)

[![RTD](https://readthedocs.org/projects/ase-notebook/badge)](http://ase-notebook.readthedocs.io/)

[![PyPI](https://img.shields.io/pypi/v/ase-notebook.svg)](https://pypi.org/project/ase-notebook)

[![Conda](https://anaconda.org/conda-forge/ase-notebook/badges/version.svg)](https://anaconda.org/conda-forge/ase-notebook)

A highly configurable 2D (SVG) & 3D (threejs) visualisation creator for ASE/Pymatgen structures,

within the Jupyter Notebook.

![Example SVG](/docs/source/images/example_vis.svg)

## Purpose

To create atomic configuration visualisations, principally within a Jupyter Notebook.

## Contributing

Contributions are very welcome.

The following will discover and run all unit test:

```shell

>> pip install -e .[testing]

>> pytest -v

```

### Coding Style Requirements

The code style is tested using [flake8](http://flake8.pycqa.org),

with the configuration set in `.flake8`,

and code should be formatted with [black](https://github.com/ambv/black).

Installing with `ase-notebook[code_style]` makes the [pre-commit](https://pre-commit.com/)

package available, which will ensure these tests are passed by reformatting the code

and testing for lint errors before submitting a commit.

It can be setup by:

```shell

>> cd ase-notebook

>> pre-commit install

```

Optionally you can run `black` and `flake8` separately:

```shell

>> black .

>> flake8 .

```

Editors like VS Code also have automatic code reformat utilities, which can adhere to this standard.

## License

See LICENSE file

## Issues

If you encounter any problems, please [file an issue](https://github.com/chrisjsewell/ase-notebook/issues) along with a detailed description.