Greg Landrum 58e6743df0 Fixes #4468 and #4476 (#4482) ...

* stop removing substance groups with replaceAtom()
change default for keepSGroups argument to replaceBond()

* enable logging output for the fileparserscatch

* basics of parsing SMARTSQ SubstanceGroups

* Fixes #4476
test coming in the next commit

* handle multi-atom SMARTS as recursive
more testing
Test #4476

* a bit of cleanup

* get the tests working

* additional testing

* Update Code/GraphMol/FileParsers/MolFileParser.cpp

Co-authored-by: Ric <ricrogz@users.noreply.github.com>

Co-authored-by: Ric <ricrogz@users.noreply.github.com>

2021-09-05 05:43:13 +02:00

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