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Release_2024_09
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2 Commits

Author SHA1 Message Date
Gareth Jones
31de6b09fb Added fingerprints to GeneralizedSubstruct search and extended SWIG wrappers (#6991) 
* Added fingerprints to GeneralizedSubstruct search

* Small change to fire tests

* Edits from code review

* Updated swig - newobject not required for GeneralizedSubstruct fingerprint methods

* GeneralizedSubstruct only supports unique_ptr in SWIG4.1
 2023-12-19 04:44:06 +01:00
Greg Landrum
908e47cc03 support generalized substructure search in the SubstructLibrary (#6835) 
* support generalized substructure search in the SubstructLibrary

* simplify namespaces

* support the new functionality in the swig wrappers

* update mac swig version in CI

* ensure swig4

* switch mac_java ci builds to conda-forge

* change in response to review

* add copy ctor to extendedquerymol

* Back to the way it was
 2023-11-01 14:55:28 -04:00