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Remove warnings filter #65

Merged
merged 4 commits into from
Oct 26, 2023
Merged

Remove warnings filter #65

merged 4 commits into from
Oct 26, 2023

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lilyminium
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@lilyminium lilyminium commented Oct 26, 2023

Fixes #64

Changes made in this Pull Request:

  • Removes warnings filter in capture_toolkit_warnings
  • Removes use of capture_toolkit_warnings in creating Molecules, as the most recent 0.14.4 version of the Toolkit no longer throws up these warnings

PR Checklist

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

@lilyminium
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Turns out 0.14.4 is out now and that has stopped throwing up tons of warnings when allow_undefined_stereo=True, so with capture_toolkit_warnings isn't absolutely needed anymore -- stripping from the rest of the library.

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codecov-commenter commented Oct 26, 2023

Codecov Report

Merging #65 (725a0a0) into main (3a7acc1) will decrease coverage by 0.01%.
The diff coverage is 75.00%.

Additional details and impacted files

@lilyminium lilyminium merged commit 512d6aa into main Oct 26, 2023
41 checks passed
@lilyminium lilyminium deleted the fix-64 branch October 26, 2023 06:00
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NAGL charge assignment applying global warnings filter
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