mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-07 22:44:25 +08:00
4c0a99f2ad
* Add threaded pattern generator to help speed up library creation * Add size to FPHolderBase * Add more complete python wrapper, fix leak in doctest * Add basic usage test for addPatterns, fix I/O leak * Add basic test for trusted smiles * Actually add the new code * Export addPatterns on windows * Try fixing the cartridge build * Change pattern_factory to PatternFactory * Change boost::ref to std::ref
33 lines
1.1 KiB
CMake
33 lines
1.1 KiB
CMake
if(RDK_USE_BOOST_SERIALIZATION AND Boost_SERIALIZATION_LIBRARY)
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set(RDKit_SERIALIZATION_LIBS ${Boost_SERIALIZATION_LIBRARY})
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else()
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message("== Making SubstructLibrary without boost Serialization support")
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set(RDKit_SERIALIZATION_LIBS )
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endif()
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if(RDK_BUILD_THREADSAFE_SSS)
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remove_definitions(-DRDKIT_GRAPHMOL_BUILD)
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add_definitions(-DRDKIT_SUBSTRUCTLIBRARY_BUILD)
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rdkit_library(SubstructLibrary
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SubstructLibrary.cpp
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PatternFactory.cpp
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LINK_LIBRARIES Fingerprints SubstructMatch SmilesParse
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GraphMol RDGeometryLib Catalogs RDGeneral DataStructs ${RDKit_SERIALIZATION_LIBS})
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rdkit_headers(SubstructLibrary.h
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SubstructLibrarySerialization.h
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PatternFactory.h
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DEST GraphMol/SubstructLibrary)
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if(RDK_BUILD_PYTHON_WRAPPERS)
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add_subdirectory(Wrap)
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endif()
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rdkit_test(substructLibraryTest substructLibraryTest.cpp
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LINK_LIBRARIES SubstructLibrary Fingerprints
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SubstructMatch FileParsers SmilesParse GraphMol RDGeometryLib RDGeneral DataStructs
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${RDKit_SERIALIZATION_LIBS})
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endif(RDK_BUILD_THREADSAFE_SSS)
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