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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
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)
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