Introduce Basic Orientational Entropy Calculations#294

Merged

skfegan merged 26 commits intomainfrom

27-orientational-entropy

Mar 13, 2026

Commits on Feb 27, 2026

Commits on Mar 1, 2026

fixing output formating for orientational entropy
skfegan
committed

Commits on Mar 2, 2026

Commits on Mar 4, 2026

Commits on Mar 6, 2026

tests
skfegan
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Commits on Mar 11, 2026

more testing
skfegan
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tests: fix RDKit mocking in `_get_linear` tests
harryswift01
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include `rdkit` within `autodoc_mock_imports`
harryswift01
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remove `search_object` argument from `get_grid_neighbors`
harryswift01
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test for grid search
skfegan
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Merge branch '27-orientational-entropy' of https://github.com/CCPBioSim/CodeEntropy into 27-orientational-entropy
skfegan
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fix type checking within `reporter.py` and `dihedrals`
harryswift01
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fix(types): resolve Pylance optional access errors and tighten typing within `forces.py`
harryswift01
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fix(types): allow optional dict by changing data to dict[str, Any] | None in `frame_dag.py`
harryswift01
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fix(types): update `level_dag.py` to correct pylance typings
harryswift01
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