if(RDK_BUILD_DESCRIPTORS3D) set(DESC3D_HDRS MolDescriptors3D.h EEM.h PBF.h PMI.h AUTOCORR3D.h RDF.h MORSE.h GETAWAY.h WHIM.h) set(DESC3D_SOURCES EEM.cpp PBF.cpp PMI.cpp AUTOCORR3D.cpp RDF.cpp MORSE.cpp GETAWAY.cpp WHIM.cpp) endif(RDK_BUILD_DESCRIPTORS3D) remove_definitions(-DRDKIT_GRAPHMOL_BUILD) add_definitions(-DRDKIT_DESCRIPTORS_BUILD) rdkit_library(Descriptors Crippen.cpp MolDescriptors.cpp MolSurf.cpp Lipinski.cpp ConnectivityDescriptors.cpp MQN.cpp Property.cpp AUTOCORR2D.cpp Data3Ddescriptors.cpp MolData3Ddescriptors.cpp USRDescriptor.cpp ${DESC3D_SOURCES} LINK_LIBRARIES PartialCharges SmilesParse FileParsers Subgraphs SubstructMatch MolTransforms GraphMol EigenSolvers ${RDKit_THREAD_LIBS}) rdkit_headers(Crippen.h Lipinski.h MolDescriptors.h MolSurf.h ConnectivityDescriptors.h MQN.h RegisterDescriptor.h Property.h AUTOCORR2D.h Data3Ddescriptors.h MolData3Ddescriptors.h USRDescriptor.h ${DESC3D_HDRS} DEST GraphMol/Descriptors) rdkit_test(testDescriptors test.cpp LINK_LIBRARIES PartialCharges Descriptors FileParsers SmilesParse Subgraphs SubstructMatch MolTransforms GraphMol EigenSolvers DataStructs RDGeneral RDGeometryLib ${RDKit_THREAD_LIBS} ) rdkit_test(testAUTOCORR2D testAUTOCORR2D.cpp LINK_LIBRARIES Descriptors FileParsers SmilesParse MolTransforms PartialCharges GraphMol DataStructs EigenSolvers RDGeneral RDGeometryLib ${RDKit_THREAD_LIBS} ) if(RDK_BUILD_DESCRIPTORS3D) rdkit_test(testEEM testEEM.cpp LINK_LIBRARIES Descriptors FileParsers SmilesParse MolTransforms PartialCharges GraphMol DataStructs EigenSolvers RDGeneral RDGeometryLib ${RDKit_THREAD_LIBS} ) rdkit_test(testPBF testPBF.cpp LINK_LIBRARIES Descriptors FileParsers SmilesParse MolTransforms PartialCharges GraphMol DataStructs EigenSolvers RDGeneral RDGeometryLib ${RDKit_THREAD_LIBS} ) rdkit_test(testRDFcustom testRDFcustom.cpp LINK_LIBRARIES Descriptors FileParsers SmilesParse MolTransforms PartialCharges GraphMol DataStructs EigenSolvers RDGeneral RDGeometryLib ${RDKit_THREAD_LIBS} ) rdkit_test(testRDF testRDF.cpp LINK_LIBRARIES Descriptors FileParsers SmilesParse MolTransforms PartialCharges GraphMol DataStructs EigenSolvers RDGeneral RDGeometryLib ${RDKit_THREAD_LIBS} ) rdkit_test(testMORSE testMORSE.cpp LINK_LIBRARIES Descriptors FileParsers SmilesParse MolTransforms PartialCharges GraphMol DataStructs EigenSolvers RDGeneral RDGeometryLib ${RDKit_THREAD_LIBS} ) rdkit_test(test3D test3D.cpp LINK_LIBRARIES Descriptors FileParsers SmilesParse MolTransforms PartialCharges GraphMol DataStructs EigenSolvers RDGeneral RDGeometryLib ${RDKit_THREAD_LIBS} ) rdkit_test(testWHIM testWHIM.cpp LINK_LIBRARIES Descriptors FileParsers SmilesParse MolTransforms PartialCharges GraphMol DataStructs EigenSolvers RDGeneral RDGeometryLib ${RDKit_THREAD_LIBS} ) rdkit_test(testGETAWAY testGETAWAY.cpp LINK_LIBRARIES Descriptors FileParsers SmilesParse MolTransforms PartialCharges GraphMol DataStructs EigenSolvers RDGeneral RDGeometryLib ${RDKit_THREAD_LIBS} ) rdkit_test(testAUTOCORR3D testAUTOCORR3D.cpp LINK_LIBRARIES Descriptors FileParsers SmilesParse MolTransforms PartialCharges GraphMol DataStructs EigenSolvers RDGeneral RDGeometryLib ${RDKit_THREAD_LIBS} ) endif(RDK_BUILD_DESCRIPTORS3D) add_subdirectory(Wrap)