Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook
Project description
ase-notebook
A highly configurable 2D (SVG) & 3D (threejs) visualisation creator for ASE/Pymatgen structures, within the Jupyter Notebook.
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:
>> pip install -e .[testing]
>> pytest -v
Coding Style Requirements
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.
License
See LICENSE file
Issues
If you encounter any problems, please file an issue along with a detailed description.
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Source Distribution
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Hashes for ase_notebook-0.3.0-py3-none-any.whl
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