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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 CoulombMat.h)
set(DESC3D_SOURCES EEM.cpp PBF.cpp PMI.cpp AUTOCORR3D.cpp RDF.cpp MORSE.cpp GETAWAY.cpp WHIM.cpp CoulombMat.cpp)
endif(RDK_BUILD_DESCRIPTORS3D)
rdkit_library(Descriptors
Crippen.cpp BCUT.cpp MolDescriptors.cpp MolSurf.cpp Lipinski.cpp ConnectivityDescriptors.cpp
MQN.cpp
Property.cpp
AUTOCORR2D.cpp Data3Ddescriptors.cpp MolData3Ddescriptors.cpp
USRDescriptor.cpp AtomFeat.cpp
OxidationNumbers.cpp
DCLV.cpp
${DESC3D_SOURCES}
LINK_LIBRARIES PartialCharges SmilesParse FileParsers Subgraphs SubstructMatch MolTransforms GraphMol
EigenSolvers RDGeneral)
target_compile_definitions(Descriptors PRIVATE RDKIT_DESCRIPTORS_BUILD)
rdkit_headers(Crippen.h BCUT.h Lipinski.h
MolDescriptors.h
MolSurf.h
ConnectivityDescriptors.h MQN.h
RegisterDescriptor.h
Property.h
AUTOCORR2D.h Data3Ddescriptors.h MolData3Ddescriptors.h
USRDescriptor.h AtomFeat.h
OxidationNumbers.h
DCLV.h
${DESC3D_HDRS}
DEST GraphMol/Descriptors)
rdkit_test(testDescriptors test.cpp
LINK_LIBRARIES PartialCharges Descriptors )
rdkit_test(testAUTOCORR2D testAUTOCORR2D.cpp
LINK_LIBRARIES Descriptors )
rdkit_test(testATF testATF.cpp
LINK_LIBRARIES Descriptors )
if(RDK_HAS_EIGEN)
rdkit_test(testBCUT testBCUT.cpp
LINK_LIBRARIES Descriptors )
endif(RDK_HAS_EIGEN)
if(RDK_BUILD_DESCRIPTORS3D)
rdkit_test(testEEM testEEM.cpp
LINK_LIBRARIES Descriptors )
rdkit_test(testPBF testPBF.cpp
LINK_LIBRARIES Descriptors )
rdkit_test(testRDFcustom testRDFcustom.cpp
LINK_LIBRARIES Descriptors )
rdkit_test(testRDF testRDF.cpp
LINK_LIBRARIES Descriptors )
rdkit_test(testMORSE testMORSE.cpp
LINK_LIBRARIES Descriptors )
rdkit_test(test3D test3D.cpp
LINK_LIBRARIES Descriptors )
rdkit_test(testWHIM testWHIM.cpp
LINK_LIBRARIES Descriptors )
rdkit_test(testGETAWAY testGETAWAY.cpp
LINK_LIBRARIES Descriptors )
rdkit_test(testAUTOCORR3D testAUTOCORR3D.cpp
LINK_LIBRARIES Descriptors )
rdkit_test(testCoulombMat testCoulombMat.cpp
LINK_LIBRARIES Descriptors ForceFieldHelpers DistGeomHelpers )
endif(RDK_BUILD_DESCRIPTORS3D)
rdkit_catch_test(descriptorsTestCatch catch_tests.cpp LINK_LIBRARIES Descriptors SmilesParse FileParsers)
if(RDK_BUILD_PYTHON_WRAPPERS)
add_subdirectory(Wrap)
endif()
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