remove_definitions(-DRDKIT_GRAPHMOL_BUILD) rdkit_python_extension(rdchem rdchem.cpp Table.cpp Atom.cpp Bond.cpp Mol.cpp Conformer.cpp RingInfo.cpp EditableMol.cpp MonomerInfo.cpp ResonanceMolSupplier.cpp MolBundle.cpp DEST Chem LINK_LIBRARIES SmilesParse ChemTransforms SubstructMatch GraphMol RDGeometryLib RDGeneral RDBoost) rdkit_python_extension(rdmolops rdmolops.cpp MolOps.cpp DEST Chem LINK_LIBRARIES ChemReactions MolDraw2D Depictor FileParsers SubstructMatch Fingerprints ChemTransforms Catalogs Subgraphs SmilesParse MolTransforms GraphMol EigenSolvers RDGeometryLib DataStructs RDGeneral RDBoost ) rdkit_python_extension(rdqueries rdqueries.cpp Queries.cpp DEST Chem LINK_LIBRARIES GraphMol RDGeometryLib DataStructs RDGeneral RDBoost ) if(RDK_BUILD_COORDGEN_SUPPORT) set (maesupplier MaeMolSupplier.cpp) else() set (maesupplier "") endif() if(RDK_BUILD_COMPRESSED_SUPPLIERS) find_package(Boost 1.56.0 COMPONENTS iostreams REQUIRED) set(rdmolfiles_sources rdmolfiles.cpp ForwardSDMolSupplier.cpp ${maesupplier} SDMolSupplier.cpp TDTMolSupplier.cpp SmilesMolSupplier.cpp SmilesWriter.cpp SDWriter.cpp TDTWriter.cpp CompressedSDMolSupplier.cpp PDBWriter.cpp ) else(RDK_BUILD_COMPRESSED_SUPPLIERS) set(rdmolfiles_sources rdmolfiles.cpp ForwardSDMolSupplier.cpp ${maesupplier} SDMolSupplier.cpp TDTMolSupplier.cpp SmilesMolSupplier.cpp SmilesWriter.cpp SDWriter.cpp TDTWriter.cpp PDBWriter.cpp ) endif(RDK_BUILD_COMPRESSED_SUPPLIERS) rdkit_python_extension(rdmolfiles ${rdmolfiles_sources} DEST Chem LINK_LIBRARIES SubstructMatch SmilesParse FileParsers GraphMol RDGeometryLib RDGeneral RDBoost) rdkit_python_extension(rdtrajectory Trajectory.cpp rdTrajectory.cpp DEST Chem LINK_LIBRARIES Trajectory RDGeometryLib RDGeneral GraphMol) if(RDK_BUILD_COMPRESSED_SUPPLIERS) set_target_properties(rdmolfiles PROPERTIES DEFINE_SYMBOL SUPPORT_COMPRESSED_SUPPLIERS ) endif(RDK_BUILD_COMPRESSED_SUPPLIERS) add_pytest(pyGraphMolWrap ${CMAKE_CURRENT_SOURCE_DIR}/rough_test.py) add_pytest(pyTestConformerWrap ${CMAKE_CURRENT_SOURCE_DIR}/testConformer.py) add_pytest(pyTestTrajectory ${CMAKE_CURRENT_SOURCE_DIR}/testTrajectory.py) if (RDK_TEST_MULTITHREADED) add_pytest(pyTestThreads ${CMAKE_CURRENT_SOURCE_DIR}/testThreads.py) endif (RDK_TEST_MULTITHREADED)