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b1663052b8
* move mol weight and formula calculators to MolOps and refactor them a bit. The descriptors are still there and should remain. * remove other unnecessary dependencies on Descriptors * Update adapter.cpp Co-authored-by: Paolo Tosco <paolo.tosco.mail@gmail.com> --------- Co-authored-by: Paolo Tosco <paolo.tosco.mail@gmail.com>
18 lines
749 B
CMake
18 lines
749 B
CMake
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rdkit_library(StructChecker
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StructChecker.cpp StructCheckerOptions.cpp StructureFlags.cpp Utilites.cpp
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Pattern.cpp Stereo.cpp AtomSymbolMatch.cpp StripSmallFragments.cpp ReCharge.cpp Tautomer.cpp
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LINK_LIBRARIES Depictor SubstructMatch FileParsers ChemTransforms
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GraphMol RDGeneral )
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target_compile_definitions(StructChecker PRIVATE RDKIT_STRUCTCHECKER_BUILD)
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rdkit_headers(StructChecker.h Utilites.h Pattern.h Stereo.h StripSmallFragments.h ReCharge.h Tautomer.h
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DEST GraphMol/StructChecker)
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if(RDK_BUILD_PYTHON_WRAPPERS)
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add_subdirectory(Wrap)
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endif()
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rdkit_test(testStructChecker testStructChecker.cpp
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LINK_LIBRARIES StructChecker SmilesParse )
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