mirror of
https://github.com/rdkit/rdkit.git
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3836049ab2
* SHARED-12256: Add test and change function.
* SHARED-12256: Update to only wrapping changes.
* SHARED-12256: Parameterize tests.
* SHARED-12256: GetPropIfPresent changes.
* Revert "SHARED-12256: GetPropIfPresent changes."
This reverts commit f598f8c161.
* SHARED-12256: Make default the keyword in the boost wrappings.
* SHARED-12256: Overload function instead of using a sentinel.
* SHARED-12256: Extend GetProp changes.
* SHARED-12256: Add entry point for tests and fix tests.
102 lines
3.6 KiB
CMake
102 lines
3.6 KiB
CMake
remove_definitions(-DRDKIT_GRAPHMOL_BUILD)
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rdkit_python_extension(rdchem
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rdchem.cpp Table.cpp Atom.cpp Bond.cpp Mol.cpp
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Conformer.cpp RingInfo.cpp EditableMol.cpp MonomerInfo.cpp
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ResonanceMolSupplier.cpp MolBundle.cpp StereoGroup.cpp SubstanceGroup.cpp
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Chirality.cpp
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DEST Chem
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LINK_LIBRARIES
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SmilesParse ChemTransforms SubstructMatch GraphMol
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MarvinParser)
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rdkit_python_extension(rdmolops
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rdmolops.cpp MolOps.cpp
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ChiralityOps.cpp
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DEST Chem
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LINK_LIBRARIES
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ChemReactions Depictor
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FileParsers SubstructMatch Fingerprints ChemTransforms
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Subgraphs SmilesParse MolTransforms GraphMol)
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rdkit_python_extension(rdqueries
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rdqueries.cpp Queries.cpp
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DEST Chem
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LINK_LIBRARIES
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GraphMol)
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if(RDK_BUILD_MAEPARSER_SUPPORT)
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set (maesupplier MaeMolSupplier.cpp MaeWriter.cpp)
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include_directories(${maeparser_INCLUDE_DIRS})
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endif()
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if(RDK_BUILD_COMPRESSED_SUPPLIERS)
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set(compressedsupplier CompressedSDMolSupplier.cpp)
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endif()
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set(rdmolfiles_sources rdmolfiles.cpp
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ForwardSDMolSupplier.cpp ${maesupplier}
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SDMolSupplier.cpp TDTMolSupplier.cpp ${compressedsupplier}
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SmilesMolSupplier.cpp SmilesWriter.cpp SDWriter.cpp
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TDTWriter.cpp
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PDBWriter.cpp
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MultithreadedSmilesMolSupplier.cpp
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MultithreadedSDMolSupplier.cpp)
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rdkit_python_extension(rdmolfiles
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${rdmolfiles_sources}
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DEST Chem
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LINK_LIBRARIES SubstructMatch
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SmilesParse FileParsers GraphMol
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MarvinParser
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RDGeometryLib RDGeneral RDBoost)
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rdkit_python_extension(rdtrajectory
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Trajectory.cpp rdTrajectory.cpp
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DEST Chem
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LINK_LIBRARIES Trajectory RDGeometryLib RDGeneral RDBoost GraphMol)
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if(RDK_BUILD_COMPRESSED_SUPPLIERS)
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set_target_properties(rdmolfiles PROPERTIES DEFINE_SYMBOL SUPPORT_COMPRESSED_SUPPLIERS)
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endif(RDK_BUILD_COMPRESSED_SUPPLIERS)
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add_pytest(pyGraphMolWrap
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${CMAKE_CURRENT_SOURCE_DIR}/rough_test.py)
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add_pytest(pyTestGetPropDefault
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${CMAKE_CURRENT_SOURCE_DIR}/testGetPropDefault.py)
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add_pytest(pyTestConformerWrap
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${CMAKE_CURRENT_SOURCE_DIR}/testConformer.py)
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add_pytest(pyTestTrajectory
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${CMAKE_CURRENT_SOURCE_DIR}/testTrajectory.py)
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add_pytest(pyTestSGroups
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${CMAKE_CURRENT_SOURCE_DIR}/testSGroups.py)
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add_pytest(pyTestSCSR
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${CMAKE_CURRENT_SOURCE_DIR}/testSCSR.py)
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add_pytest(pySubstructureMatch
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${CMAKE_CURRENT_SOURCE_DIR}/testSubstructureMatch.py)
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if (RDK_TEST_MULTITHREADED)
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add_pytest(pyTestThreads
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${CMAKE_CURRENT_SOURCE_DIR}/testThreads.py)
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add_pytest(pyTestMultithreadedMolSupplier
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${CMAKE_CURRENT_SOURCE_DIR}/testMultithreadedMolSupplier.py)
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endif (RDK_TEST_MULTITHREADED)
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add_pytest(pyTestPropertyLists
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${CMAKE_CURRENT_SOURCE_DIR}/testPropertyLists.py)
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add_pytest(pyCDXMLTest
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${CMAKE_CURRENT_SOURCE_DIR}/test_cdxml.py)
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add_pytest(pySubsetTest
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${CMAKE_CURRENT_SOURCE_DIR}/test_subset.py)
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add_pytest(pyTestLazyNumpy
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${CMAKE_CURRENT_SOURCE_DIR}/test_lazy_numpy.py)
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