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Release_2023_09
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2 Commits

Author SHA1 Message Date
Gareth Jones
0825944943 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
 2023-12-27 07:40:35 +01:00
Greg Landrum
c4b8969334 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
 2023-11-09 10:58:34 +01:00