Files
rdkit/Code/GraphMol/Substruct/SubstructUtils.cpp
Rachel Walker 70427aa9b4 Add atom and bond property parameters to substruct matching (#6453)
* Add atom and bond property parameters to substruct matching

* use getPropIfPresent in propertyCompat

* fix typo

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

* Update Code/GraphMol/Substruct/SubstructUtils.cpp

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

* Update Code/GraphMol/Substruct/SubstructUtils.cpp

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

* added python tests

* Add PRECONDITIONs

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

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Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
2023-06-15 05:08:48 +02:00

9.9 KiB