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* Add search groups (#32) Tracker story: 184574393 - Support additional query features [1] All the special groups and atom from the Ketcher extended table are now supported in RDKit. The newley added ones include: ABH, ACH, AEH, AHH, ALH, AOH, ARH, AYH, CAH, CBH, CEH, CHH, CXH, CTH, G, G*, GH, GH*, R, and the atom query types D, T, H+., and Pol * Fix tests Remove Marvin specific code * Fix windows build * Fix windows build * Remove atom matches * Remove test * Fix doc * Update Code/GraphMol/GenericGroups/GenericGroups.h Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * Update Code/GraphMol/GenericGroups/GenericGroups.h Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * Update Code/GraphMol/GenericGroups/GenericGroups.h Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * Update Code/GraphMol/GenericGroups/GenericGroups.h Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * Update Code/GraphMol/GenericGroups/GenericGroups.h Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * Update Code/GraphMol/GenericGroups/GenericGroups.h Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * Update Code/GraphMol/GenericGroups/GenericGroups.h Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * Update Code/GraphMol/GenericGroups/generic_tests.cpp Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * Update Code/GraphMol/GenericGroups/generic_tests.cpp Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * Update Code/GraphMol/GenericGroups/GenericGroups.h Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * Added test for groups added manually to a query as per PR review suggestion * stop reading generic groups as atomnull queries --------- Co-authored-by: tadhurst-cdd <112502803+tadhurst-cdd@users.noreply.github.com> Co-authored-by: Greg Landrum <greg.landrum@gmail.com> Co-authored-by: Tad Hurst <tad.hurst@collaborativedrug.com>
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