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remove_definitions(-DRDKIT_GRAPHMOL_BUILD)
add_definitions(-DRDKIT_MOLSTANDARDIZE_BUILD)
rdkit_library(MolStandardize
MolStandardize.cpp
Metal.cpp
Normalize.cpp
Validate.cpp
Charge.cpp
Tautomer.cpp
Fragment.cpp
FragmentCatalog/FragmentCatalogEntry.cpp
FragmentCatalog/FragmentCatalogParams.cpp
FragmentCatalog/FragmentCatalogUtils.cpp
AcidBaseCatalog/AcidBaseCatalogEntry.cpp
AcidBaseCatalog/AcidBaseCatalogParams.cpp
AcidBaseCatalog/AcidBaseCatalogUtils.cpp
TransformCatalog/TransformCatalogEntry.cpp
TransformCatalog/TransformCatalogParams.cpp
TransformCatalog/TransformCatalogUtils.cpp
TautomerCatalog/TautomerCatalogEntry.cpp
TautomerCatalog/TautomerCatalogParams.cpp
TautomerCatalog/TautomerCatalogUtils.cpp
LINK_LIBRARIES ChemReactions ChemTransforms GraphMol RDGeneral )
rdkit_headers(MolStandardize.h
Metal.h
Normalize.h
Validate.h
Charge.h
Tautomer.h
Fragment.h
FragmentCatalog/FragmentCatalogEntry.h
FragmentCatalog/FragmentCatalogParams.h
FragmentCatalog/FragmentCatalogUtils.h
AcidBaseCatalog/AcidBaseCatalogEntry.h
AcidBaseCatalog/AcidBaseCatalogParams.h
AcidBaseCatalog/AcidBaseCatalogUtils.h
TransformCatalog/TransformCatalogEntry.h
TransformCatalog/TransformCatalogParams.h
TransformCatalog/TransformCatalogUtils.h
TautomerCatalog/TautomerCatalogEntry.h
TautomerCatalog/TautomerCatalogParams.h
TautomerCatalog/TautomerCatalogUtils.h
DEST GraphMol/MolStandardize)
add_subdirectory(Wrap)
rdkit_test(molStandardizeTest test1.cpp LINK_LIBRARIES MolStandardize
SmilesParse RDGeneral GraphMol SubstructMatch )
rdkit_test(molNormalizeTest testNormalize.cpp LINK_LIBRARIES MolStandardize
SmilesParse RDGeneral GraphMol SubstructMatch )
rdkit_test(molValidateTest testValidate.cpp LINK_LIBRARIES MolStandardize
SmilesParse RDGeneral GraphMol SubstructMatch FileParsers )
rdkit_test(molChargeTest testCharge.cpp LINK_LIBRARIES MolStandardize
SmilesParse RDGeneral GraphMol SubstructMatch FileParsers )
rdkit_test(molTautomerTest testTautomer.cpp LINK_LIBRARIES MolStandardize
SmilesParse RDGeneral GraphMol SubstructMatch FileParsers )
rdkit_test(molStandardizeSmallTest test2.cpp LINK_LIBRARIES MolStandardize
SmilesParse RDGeneral GraphMol SubstructMatch)
rdkit_test(molFragmentTest testFragment.cpp LINK_LIBRARIES MolStandardize
Catalogs SmilesParse RDGeneral GraphMol SubstructMatch FileParsers
ChemTransforms Descriptors)
#find_package(Boost 1.56.0 COMPONENTS system iostreams REQUIRED)
#if (NOT Boost_USE_STATIC_LIBS)
# add_definitions("-DBOOST_IOSTREAMS_DYN_LINK")
#endif()
# rdkit_test(compareMolVSTest testPCS.cpp LINK_LIBRARIES RDGeneral SmilesParse RDGeneral GraphMol MolStandardize ${Boost_LIBRARIES})
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