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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
MarvinParser)
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 MaeWriter.cpp)
include_directories(${maeparser_INCLUDE_DIRS})
endif()
if(RDK_BUILD_COMPRESSED_SUPPLIERS)
set(compressedsupplier CompressedSDMolSupplier.cpp)
endif()
set(rdmolfiles_sources rdmolfiles.cpp
ForwardSDMolSupplier.cpp ${maesupplier}
SDMolSupplier.cpp TDTMolSupplier.cpp ${compressedsupplier}
SmilesMolSupplier.cpp SmilesWriter.cpp SDWriter.cpp
TDTWriter.cpp
PDBWriter.cpp
MultithreadedSmilesMolSupplier.cpp
MultithreadedSDMolSupplier.cpp)
rdkit_python_extension(rdmolfiles
${rdmolfiles_sources}
DEST Chem
LINK_LIBRARIES SubstructMatch
SmilesParse FileParsers GraphMol
MarvinParser
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)
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