Commit Graph

1 Commits

Author SHA1 Message Date
Greg Landrum
e21c39dcb3 SubstructLibrary improvements (#4403)
* support MolBundles in the SubstructLibrary

* support SubstructMatchParameters in SubstructLibrary

* expose those methods to the python wrapper

* fix non-threadsafe build problem

* be explicit about sorting

* add the option to set the search order

* add example functions for setting the search order
2021-08-24 05:02:41 +02:00