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Merge branch "feature cleanup" #38

Merged
merged 20 commits into from
Jan 17, 2025
Merged

Merge branch "feature cleanup" #38

merged 20 commits into from
Jan 17, 2025

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timbernat
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Description

Pull minor features into main prior to 0.1.5 release

Todos

Notable points that this PR has either accomplished or will accomplish.

  • Added string procrustification convenience method
  • Added toggle options for kekulization in chemical drawing and SMILES cleanup
  • Greatly strengthened scope and robustness of chemdbqueries

Status

  • Ensure tests pass
  • Ready to go

…rators (employing classmethods where necessary)
@timbernat timbernat merged commit 11f0057 into main Jan 17, 2025
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@timbernat timbernat deleted the feature-cleanup branch January 17, 2025 03:53
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