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update systems and components docs for completeness#1954

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atravitz wants to merge 2 commits intomainfrom
docs/update_systems_and_components
Open

update systems and components docs for completeness#1954
atravitz wants to merge 2 commits intomainfrom
docs/update_systems_and_components

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@atravitz atravitz commented Apr 22, 2026

I noticed we don't have all relevant components in the api docs, so I added them here.

Might help with #1933

Checklist

  • All new code is appropriately documented (user-facing code must have complete docstrings).
  • Added a news entry, or the changes are not user-facing.
  • Ran pre-commit: you can run pre-commit locally or comment on this PR with pre-commit.ci autofix.

Manual Tests: these are slow so don't need to be run every commit, only before merging and when relevant changes are made (generally at reviewer-discretion).

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@atravitz atravitz requested a review from hannahbaumann April 22, 2026 22:24
@atravitz atravitz mentioned this pull request Apr 22, 2026
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codecov Bot commented Apr 22, 2026

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 90.51%. Comparing base (7959cc6) to head (e9388bf).

Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1954      +/-   ##
==========================================
- Coverage   94.78%   90.51%   -4.28%     
==========================================
  Files         210      210              
  Lines       18841    18841              
==========================================
- Hits        17859    17054     -805     
- Misses        982     1787     +805     
Flag Coverage Δ
fast-tests 90.51% <ø> (?)
slow-tests ?

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Thanks @atravitz , lgtm! Just the one comment!

Component
SmallMoleculeComponent
ProteinComponent
ProteinMembraneComponent
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We should probably also add SolvatedPDBComponent here.

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SolvatedPDBComponent is only in gufe, and hasn't been explicitly exposed as openfe.SolvatedPDBComponent. Do you think it would be useful to be user-facing, or keep it in gufe as developer-facing-only?

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note: I've added openfe.SolvatedPDBComponent since I we are referencing it in #1933, which makes it inherently user-facing. Let me know if you disagree!

@atravitz atravitz marked this pull request as ready for review April 23, 2026 16:10
@atravitz atravitz requested a review from hannahbaumann April 24, 2026 00:07
@atravitz atravitz closed this Apr 24, 2026
@atravitz atravitz reopened this Apr 24, 2026
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No API break detected ✅

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