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Fix guess_TopologyAttrs for empty Elements and Atomtypes#5416

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AnimeshPriyanshu:fix-5414-missing-value-label
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Fix guess_TopologyAttrs for empty Elements and Atomtypes#5416
AnimeshPriyanshu wants to merge 1 commit into
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AnimeshPriyanshu:fix-5414-missing-value-label

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Fixes #5414

Changes made in this Pull Request

  • Add missing_value_label = "" to Elements and Atomtypes so empty string values are recognized as missing during topology attribute guessing.
  • Add a regression test for guessing missing element values.
  • Update the existing Atomtypes partial guessing test to reflect the new behavior.

LLM / AI generated code disclosure

LLMs or other AI-powered tools (beyond simple IDE use cases) were used in this contribution: no

PR Checklist

  • Issue raised/referenced?
  • Tests updated/added?
  • Documentation updated/added?
  • package/CHANGELOG file updated?
  • Is your name in package/AUTHORS? (If it is not, add it!)
  • LLM/AI disclosure was updated.

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I certify that I can submit this code contribution as described in the Developer Certificate of Origin, under the MDAnalysis LICENSE.

@AnimeshPriyanshu

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Screenshot 2026-07-02 at 4 47 01 PM

@AnimeshPriyanshu AnimeshPriyanshu force-pushed the fix-5414-missing-value-label branch from 2ee98ed to 4c1cd4b Compare July 2, 2026 11:53
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guess_TopologyAttrs(to_guess=["elements"]) silently skips atoms with element="" (missing_value_label not set on Elements/Atomtypes)

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