Files
rdkit/Code/GraphMol/FileParsers/sgroup_test_data
Greg Landrum b739a2c208 Add a read-only Python wrapper for SGroups (#2343)
* added a set of test files for SGroups.
Many thanks to Gerd Blanke for providing these

* Partial version of the wrapper
Definitely needs more work

* add some properties

* basic SGroup property change test

* not working; backup commit

* disable writing for now

* add ClearMolSGroups() function

* review response: add a couple missing methods

* remove spaces from filenames

* update filename in test

* changes in response to review

* add operator== to SGroups

* solve lifetime problems with a vector_indexing_suite
2019-03-15 08:50:32 -04:00
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