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rdkit_library(RGroupDecomposition RGroupDecomp.cpp RGroupUtils.cpp RGroupCore.cpp
RGroupDecompParams.cpp RGroupScore.cpp RGroupFingerprintScore.cpp RGroupGa.cpp
LINK_LIBRARIES
FMCS ChemTransforms SubstructMatch SmilesParse Fingerprints
GraphMol RDGeneral ga)
target_compile_definitions(RGroupDecomposition PRIVATE RDKIT_RGROUPDECOMPOSITION_BUILD)
rdkit_headers(
RGroupDecomp.h
DEST GraphMol/RGroupDecomposition)
if(RDK_BUILD_PYTHON_WRAPPERS)
add_subdirectory(Wrap)
endif()
rdkit_test(testRGroupDecomp testRGroupDecomp.cpp
LINK_LIBRARIES RGroupDecomposition )
rdkit_test(testRGroupDecompInternals testRGroupInternals.cpp
LINK_LIBRARIES RGroupDecomposition )
rdkit_catch_test(rgroupCatchTests catch_rgd.cpp
LINK_LIBRARIES RGroupDecomposition )
find_package(Boost ${RDK_BOOST_VERSION} COMPONENTS program_options)
if(RDK_BUILD_CPP_TESTS AND Boost_FOUND)
add_executable(gaExample GaExample.cpp)
if(NOT Boost_USE_STATIC_LIBS)
target_compile_definitions(gaExample PUBLIC -DBOOST_PROGRAM_OPTIONS_DYN_LINK)
endif()
target_link_libraries(gaExample RGroupDecomposition ${Boost_PROGRAM_OPTIONS_LIBRARY})
endif()
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