add_definitions(-DRDKIT_GRAPHMOL_BUILD) rdkit_library(GraphMol Atom.cpp QueryAtom.cpp QueryBond.cpp Bond.cpp MolOps.cpp FindRings.cpp ROMol.cpp RWMol.cpp PeriodicTable.cpp atomic_data.cpp QueryOps.cpp MolPickler.cpp Canon.cpp AtomIterators.cpp BondIterators.cpp Aromaticity.cpp Kekulize.cpp MolDiscriminators.cpp ConjugHybrid.cpp AddHs.cpp Matrices.cpp Chirality.cpp RingInfo.cpp Conformer.cpp Renumber.cpp AdjustQuery.cpp Resonance.cpp StereoGroup.cpp new_canon.cpp SHARED LINK_LIBRARIES RDGeometryLib RDGeneral ${RDKit_THREAD_LIBS}) target_link_libraries(GraphMol PUBLIC coordgenlibs maeparser ${RDKit_THREAD_LIBS}) rdkit_headers(Atom.h atomic_data.h AtomIterators.h Bond.h BondIterators.h Canon.h Chirality.h Conformer.h details.h GraphMol.h MolOps.h MolPickler.h PeriodicTable.h QueryAtom.h QueryBond.h QueryOps.h RDKitBase.h RDKitQueries.h Resonance.h RingInfo.h Rings.h ROMol.h RWMol.h SanitException.h StereoGroup.h MonomerInfo.h new_canon.h MolBundle.h DEST GraphMol) add_subdirectory(Depictor) add_subdirectory(SmilesParse) add_subdirectory(FileParsers) add_subdirectory(Substruct) add_subdirectory(ChemReactions) add_subdirectory(ChemTransforms) add_subdirectory(Subgraphs) add_subdirectory(FilterCatalog) add_subdirectory(FragCatalog) add_subdirectory(Descriptors) add_subdirectory(Fingerprints) add_subdirectory(PartialCharges) add_subdirectory(MolTransforms) add_subdirectory(ForceFieldHelpers) add_subdirectory(DistGeomHelpers) add_subdirectory(MolAlign) add_subdirectory(MolChemicalFeatures) add_subdirectory(ShapeHelpers) add_subdirectory(MolCatalog) add_subdirectory(MolDraw2D) add_subdirectory(FMCS) add_subdirectory(MolHash) add_subdirectory(MMPA) add_subdirectory(StructChecker) add_subdirectory(ReducedGraphs) add_subdirectory(Trajectory) add_subdirectory(SubstructLibrary) add_subdirectory(RGroupDecomposition) if(RDK_BUILD_MOLINTERCHANGE_SUPPORT) add_subdirectory(MolInterchange) endif(RDK_BUILD_MOLINTERCHANGE_SUPPORT) if(RDK_BUILD_SLN_SUPPORT AND NOT CMAKE_COMPILER_IS_CLANG) if(CMAKE_COMPILER_IS_GNUCC AND NOT CMAKE_CXX_COMPILER_VERSION GREATER 4.8) message("Skipping SLN build with gcc version <= 4.8") else() add_subdirectory(SLNParse) endif() endif() add_subdirectory(Wrap) add_subdirectory(MolStandardize) rdkit_test(graphmolTest1 test1.cpp LINK_LIBRARIES FileParsers SmilesParse GraphMol RDGeometryLib RDGeneral SubstructMatch ForceFieldHelpers ForceField) rdkit_test(graphmolcpTest cptest.cpp LINK_LIBRARIES SmilesParse GraphMol RDGeometryLib RDGeneral) rdkit_test(graphmolqueryTest querytest.cpp LINK_LIBRARIES SubstructMatch SmilesParse GraphMol RDGeometryLib RDGeneral) rdkit_test(graphmolMolOpsTest molopstest.cpp LINK_LIBRARIES SubstructMatch FileParsers SmilesParse GraphMol RDGeometryLib RDGeneral) rdkit_test(graphmoltestCanon testCanon.cpp LINK_LIBRARIES SubstructMatch SmilesParse GraphMol RDGeometryLib RDGeneral) rdkit_test(graphmoltestChirality testChirality.cpp LINK_LIBRARIES SmilesParse FileParsers GraphMol RDGeometryLib RDGeneral) rdkit_test(graphmoltestPickler testPickler.cpp LINK_LIBRARIES SmilesParse SubstructMatch FileParsers GraphMol RDGeometryLib RDGeneral) rdkit_test(graphmoltestPicklerGlobalSetting testPicklerGlobalSettings.cpp LINK_LIBRARIES SmilesParse SubstructMatch FileParsers GraphMol RDGeometryLib RDGeneral) rdkit_test(graphmolIterTest itertest.cpp LINK_LIBRARIES SmilesParse GraphMol RDGeometryLib RDGeneral) rdkit_test(hanoiTest hanoitest.cpp LINK_LIBRARIES SubstructMatch SmilesParse FileParsers GraphMol RDGeometryLib RDGeneral ${RDKit_THREAD_LIBS} ) rdkit_test(graphmolMemTest1 memtest1.cpp LINK_LIBRARIES SmilesParse GraphMol RDGeometryLib RDGeneral) rdkit_test(resMolSupplierTest resMolSupplierTest.cpp LINK_LIBRARIES SmilesParse GraphMol RDGeometryLib RDGeneral SubstructMatch FileParsers) rdkit_test(molBundleTest testMolBundle.cpp LINK_LIBRARIES SmilesParse GraphMol RDGeometryLib RDGeneral SubstructMatch FileParsers) rdkit_test(test-valgrind test-valgrind.cpp LINK_LIBRARIES SmilesParse GraphMol RDGeneral) rdkit_catch_test(graphmolTestsCatch catch_tests.cpp LINK_LIBRARIES SubstructMatch FileParsers SmilesParse GraphMol RDGeometryLib RDGeneral)