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 StereoGroup.cpp SubstanceGroup.cpp Chirality.cpp DEST Chem LINK_LIBRARIES SmilesParse ChemTransforms SubstructMatch GraphMol) rdkit_python_extension(rdmolops rdmolops.cpp MolOps.cpp ChiralityOps.cpp DEST Chem LINK_LIBRARIES ChemReactions Depictor FileParsers SubstructMatch Fingerprints ChemTransforms Subgraphs SmilesParse MolTransforms GraphMol ) rdkit_python_extension(rdqueries rdqueries.cpp Queries.cpp DEST Chem LINK_LIBRARIES GraphMol ) if(RDK_BUILD_MAEPARSER_SUPPORT) set (maesupplier MaeMolSupplier.cpp) include_directories(${maeparser_INCLUDE_DIRS}) endif() if(RDK_BUILD_COMPRESSED_SUPPLIERS) find_package(Boost ${RDK_BOOST_VERSION} COMPONENTS iostreams REQUIRED) if (NOT Boost_USE_STATIC_LIBS) add_definitions("-DBOOST_IOSTREAMS_DYN_LINK") endif() set(rdmolfiles_sources rdmolfiles.cpp ForwardSDMolSupplier.cpp ${maesupplier} SDMolSupplier.cpp TDTMolSupplier.cpp SmilesMolSupplier.cpp SmilesWriter.cpp SDWriter.cpp TDTWriter.cpp CompressedSDMolSupplier.cpp PDBWriter.cpp MultithreadedSmilesMolSupplier.cpp MultithreadedSDMolSupplier.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 MultithreadedSmilesMolSupplier.cpp MultithreadedSDMolSupplier.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 RDBoost 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) add_pytest(pyTestSGroups ${CMAKE_CURRENT_SOURCE_DIR}/testSGroups.py) if (RDK_TEST_MULTITHREADED) add_pytest(pyTestThreads ${CMAKE_CURRENT_SOURCE_DIR}/testThreads.py) add_pytest(pyTestMultithreadedMolSupplier ${CMAKE_CURRENT_SOURCE_DIR}/testMultithreadedMolSupplier.py) endif (RDK_TEST_MULTITHREADED) add_pytest(pyTestPropertyLists ${CMAKE_CURRENT_SOURCE_DIR}/testPropertyLists.py) add_pytest(pyCDXMLTest ${CMAKE_CURRENT_SOURCE_DIR}/test_cdxml.py)