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Missing release_molecule and use qmol for getMatchingSubstructure #66

Merged
merged 2 commits into from
Mar 15, 2024
Merged

Missing release_molecule and use qmol for getMatchingSubstructure #66

merged 2 commits into from
Mar 15, 2024

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atfera
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@atfera atfera commented Mar 14, 2024

Should use release_molecule instead of .delete(), if possible.

Also changed getMatchingSubstructure: we should use query mol for the substructure.

@atfera atfera requested a review from RamziWeslati March 14, 2024 09:32
@atfera atfera merged commit bb7ef44 into master Mar 15, 2024
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@RamziWeslati RamziWeslati deleted the fix/missing-release-molecule branch March 17, 2024 14:42
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@RamziWeslati RamziWeslati RamziWeslati approved these changes

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@atfera @RamziWeslati