API and guide docs for new forcefield classes#139
API and guide docs for new forcefield classes#139scal444 merged 3 commits intoNVIDIA-Digital-Bio:mainfrom
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Introduce a new docs/forcefield.rst guide covering the batched MMFF/UFF APIs, and link it into the Guides toctree. Add the batchedForcefield classes to the API reference alongside the optimize-confs entry points.
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docs.zip |
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| Filename | Overview |
|---|---|
| docs/_templates/class_template.rst | Adds :inherited-members: globally to the shared class autodoc template, which will affect all existing classes documented with it, not only the new forcefield classes. |
| docs/api/nvmolkit.rst | Adds autosummary entries for MMFFBatchedForcefield, MMFFBatchElement, UFFBatchedForcefield, and UFFBatchElement under the correct MMFF/UFF Optimization sections using class_template.rst. |
| docs/forcefield.rst | New guide covering GPU-accelerated MMFF/UFF force fields; code examples are clear and :ref: targets are valid, but several code blocks depend on mols defined in an earlier block without explicit note. |
| docs/index.rst | Adds forcefield to the Guides toctree — straightforward and correct. |
Reviews (1): Last reviewed commit: "Allow inherited members in API docs" | Re-trigger Greptile
evasnow1992
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Changes look good to me.
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