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Propagate site labels in SymmetrizedStructure() #3423

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merged 1 commit into from
Oct 25, 2023
Merged

Propagate site labels in SymmetrizedStructure() #3423

merged 1 commit into from
Oct 25, 2023

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stefsmeets
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Hi all, this is a small PR that makes sure labels are passed when a SymmetrizedStructure is initialized. This follows-up on earlier work in #3183

Summary

Major changes:

  • fix 1: Propagate site labels through SymmetrizedStructure()

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)

Tip: Install pre-commit hooks to auto-check types and linting before every commit:

pip install -U pre-commit
pre-commit install

@janosh janosh added enhancement A new feature or improvement to an existing one symmetry Space groups and the like labels Oct 25, 2023
janosh
janosh approved these changes Oct 25, 2023
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Thanks @stefsmeets! 👍

@janosh janosh enabled auto-merge (squash) October 25, 2023 13:36
@janosh janosh merged commit b4aedf0 into materialsproject:master Oct 25, 2023
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@stefsmeets stefsmeets deleted the symstruct_labels branch October 25, 2023 14:55
@stefsmeets stefsmeets mentioned this pull request Oct 25, 2023
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@fxcoudert fxcoudert mentioned this pull request Apr 16, 2024
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@janosh janosh janosh approved these changes

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