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Add toolkit_registry kwargs throughout nagl#242

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lilyminium wants to merge 16 commits intomainfrom
push-toolkit-registry-through
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Add toolkit_registry kwargs throughout nagl#242
lilyminium wants to merge 16 commits intomainfrom
push-toolkit-registry-through

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@lilyminium lilyminium commented Feb 9, 2026

Fixes #241

Passes through toolkit_registry kwargs so we can more easily control which toolkits are used under the hood. It removes the NAGL_TOOLKIT_REGISTRY, which I assume was not commonly used, in favour of converting the OpenFF GLOBAL_TOOLKIT_REGISTRY as necessary.

PR Checklist

  • Tests?
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

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codecov-commenter commented Feb 10, 2026

Codecov Report

❌ Patch coverage is 87.05036% with 18 lines in your changes missing coverage. Please review.
✅ Project coverage is 87.33%. Comparing base (c6c2086) to head (a8b383d).

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@lilyminium lilyminium marked this pull request as ready for review February 11, 2026 02:55
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Pass through toolkit_registry to compute_properties

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