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Add patch for long inchis #165

Merged
merged 2 commits into from
Dec 17, 2024
Merged

Add patch for long inchis #165

merged 2 commits into from
Dec 17, 2024

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lilyminium
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Fixes #164

Changes made in this Pull Request:

  • This patches NAGL to fail if inchis can't be generated.

PR Checklist

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

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Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 82.25%. Comparing base (92d3302) to head (8caafc2).

Additional details and impacted files

@lilyminium lilyminium merged commit b4ee21b into main Dec 17, 2024
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Successfully merging this pull request may close these issues.

Cannot assign partial charges to molecules with 1024+ atoms
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