Add the useRingTemplates option to generateDepictionMatching2DStructure by ricrogz · Pull Request #8688 · rdkit/rdkit (original) (raw)
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This adds a useRingTemplates option to the ConstrainedDepictionParams struct, so that the option can be passed to compute2DCoords() inside generateDepictionMatching2DStructure().
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The code changes look good, but I think there should be a test added for this too.
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LGTM
greglandrum pushed a commit that referenced this pull request
…re (#8688)
Add the param
add a C++ test
wrap it for Python
mirror the C++ test in Python
Mblakey pushed a commit to Mblakey/rdkit that referenced this pull request
…re (rdkit#8688)
Add the param
add a C++ test
wrap it for Python
mirror the C++ test in Python
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