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})