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Test cleanup#1228

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egonw merged 3 commits intomainfrom
test-cleanup
Sep 13, 2025
Merged

Test cleanup#1228
egonw merged 3 commits intomainfrom
test-cleanup

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@johnmay
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@johnmay johnmay commented Sep 13, 2025

Some ground work for v3.0 (but on main branch).

  • Remove the occasional occurrence of CML/HIN readers from core/standard/smiles and other modules replacing it with direct molecule creation - I left the o.g. files and their name in a comment.
  • The CDK AtomType matcher repos file test was a bit broken (trying to reading PC ASN with PDBReader for example). I've fixed this all up and fixed the PC ASN reader.

@sonarqubecloud
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@egonw egonw self-requested a review September 13, 2025 10:21
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Looks good.

@egonw egonw merged commit 87f0998 into main Sep 13, 2025
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2 participants