A highly configurable 2D (SVG) & 3D (threejs) visualisation creator for ASE/Pymatgen structures, within the Jupyter Notebook.

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

Contributions are very welcome.

The following will discover and run all unit test:

>> pip install -e .[testing] >> pytest -v

The code style is tested using flake8, with the configuration set in .flake8, and code should be formatted with black.

Installing with ase-notebook[code_style] makes the pre-commit 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:

>> cd ase-notebook >> pre-commit install

Optionally you can run black and flake8 separately:

>> black . >> flake8 .

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

See LICENSE file

If you encounter any problems, please file an issue along with a detailed description.