/gmxapi_graph_0_2

Specification for second generation gmxapi work serialization.

Primary LanguageJupyter NotebookGNU Lesser General Public License v2.1LGPL-2.1

gmxapi_graph_0_2

Specification for second generation gmxapi work serialization.

RST documentation in docs

Python reference implementation in serialization. Assumes Python version >= 3.5.

Jupyter notebooks in notebooks.

Test code for Python package in test. Run with pytest.

Documentation

Builds with Sphinx and Plantuml.

pip install sphinxcontrib-plantuml sphinx-rtd-theme
sphinx-build -b html -c docs docs build/html
open build/html/index.html

Assumes plantuml is installed and that a suitable wrapper script exists at /usr/bin/plantuml as described at https://pypi.org/project/sphinxcontrib-plantuml/. Note that a Linux distribution (Ubuntu, for instance) may package plantuml with a suitable wrapper script at /usr/bin/plantuml. If not available, consider copying the script from https://pypi.org/project/sphinxcontrib-plantuml/ and change docs/conf.py to refer to the correct plantuml wrapper location.