Files
rdkit/Code/GraphMol/QueryOps.cpp
Greg Landrum dfae8377dd Some optimization of the queries constructed from SMARTS (#1940)
* Fixes #1929

* add a tests to make sure bogus template directories work

* add a combined atomic number + aromaticity query operation to speed up SMARTS matches
Still needs to be recognized by the SMARTS writer, serialization, and no doubt a few other places.

* add a combined query for the single/aromatic bond query that shows up in SMARTS

* Stop using a dead pointer in the when parsing Marvin SMARTS in a CTAB

* At this point all tests pass on windows

* debugging info back in

* update the bison output
2018-06-30 20:22:06 -04:00

21 KiB