OpenFreeEnergy / gufe

grand unified free energy by OpenFE
https://gufe.readthedocs.io
MIT License
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Transformation docstrings fixes #210

Closed Yoshanuikabundi closed 1 year ago

Yoshanuikabundi commented 1 year ago

This fixes the warnings causing RTD to choke on https://github.com/OpenFreeEnergy/openfe/pull/493 and also adds Transformation and NonTransformation to the GUFE API reference (for good measure).

Previously, several properties in both classes had docstrings AND an Attributes entry in the class docstring. This meant that they were documented twice, which Sphinx gets grumpy about. The documentation was also not identical, so readers noticing one might have missed information present only in the other. I've consolidated the documentation and type hints into the property docstrings and annotations. I've also fixed some errors arising because ReST is very picky about trailing ss after code spans and italicised regions and so on - so for example, I've changed `ChemicalSystem`s to `ChemicalSystem` objects

codecov[bot] commented 1 year ago

Codecov Report

Patch coverage: 100.00% and no project coverage change.

Comparison is base (8d9fb2e) 99.09% compared to head (9413007) 99.09%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #210 +/- ## ======================================= Coverage 99.09% 99.09% ======================================= Files 36 36 Lines 1771 1771 ======================================= Hits 1755 1755 Misses 16 16 ``` | [Impacted Files](https://app.codecov.io/gh/OpenFreeEnergy/gufe/pull/210?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy) | Coverage Δ | | |---|---|---| | [gufe/transformations/transformation.py](https://app.codecov.io/gh/OpenFreeEnergy/gufe/pull/210?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy#diff-Z3VmZS90cmFuc2Zvcm1hdGlvbnMvdHJhbnNmb3JtYXRpb24ucHk=) | `100.00% <100.00%> (ø)` | |

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