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- CMakeLists.txt+6-2
- Code/GraphMol/AdjustQuery.cpp+30-14
- Code/GraphMol/MolAlign/AlignMolecules.cpp+46
- Code/GraphMol/MolAlign/AlignMolecules.h+30
- Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp+59
- Code/GraphMol/MolAlign/Wrap/testMolAlign.py+12
- Code/GraphMol/MolAlign/testMolAlign.cpp+23-2
- Code/GraphMol/MolOps.h+8-9
- Code/GraphMol/MolPickler.cpp+10-10
- Code/GraphMol/QueryOps.cpp+64-55
- Code/GraphMol/QueryOps.h+8
- Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp+6-6
- Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp+1
- Code/GraphMol/SmilesParse/lex.yysmiles.cpp.cmake+842-372
- Code/GraphMol/SmilesParse/smiles.ll+151-137
- Code/GraphMol/SmilesParse/test.cpp+53-48
- Code/GraphMol/Wrap/MolOps.cpp+8-2
- Code/GraphMol/atomic_data.cpp+69-56
- Code/GraphMol/molopstest.cpp+40-4
- Code/GraphMol/testPickler.cpp+37-17
- Code/PgSQL/rdkit/adapter.cpp+4
- Code/PgSQL/rdkit/expected/rdkit-91.out+18
- Code/PgSQL/rdkit/sql/rdkit-91.sql+3
- Code/RDGeneral/Dict.h+46-43
- Code/RDGeneral/RDValue-taggedunion.h+2
- Code/RDGeneral/testDict.cpp+116-119
- Code/SimDivPickers/MaxMinPicker.h+98-43
- Code/SimDivPickers/Wrap/MaxMinPicker.cpp+35-59
- Code/SimDivPickers/Wrap/testPickers.py+19
- Code/SimDivPickers/Wrap/test_data/chembl_cyps.head.fps+1.0k
- External/INCHI-API/inchi.cpp+24-9
- External/INCHI-API/test.cpp+292-213
- rdkit/Chem/AllChem.py+124-48
- rdkit/Chem/UnitTestInchi.py+2-2
- rdkit/Chem/__init__.py+4-7
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