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Assign frame properties to molecule/structure when indexing trajectory #3979

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merged 2 commits into from
Aug 8, 2024

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CompRhys
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@CompRhys CompRhys commented Aug 8, 2024

Summary

When indexing a trajectory the site properties would be assigned to the structure/molecule but the frame properties would not be propagated down to the structure/molecule in question.

Checklist

  • Google format doc strings added. Check with ruff.
  • Type annotations included. Check with mypy.
  • Tests added for new features/fixes.
  • If applicable, new classes/functions/modules have duecredit @due.dcite decorators to reference relevant papers by DOI (example)

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@janosh janosh left a comment

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good catch, thanks @CompRhys! 👍

@janosh janosh merged commit a3b0ddb into materialsproject:master Aug 8, 2024
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@janosh janosh added fix Bug fix PRs core Pymatgen core labels Aug 8, 2024
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