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remove_definitions(-DRDKIT_GRAPHMOL_BUILD)
add_definitions(-DRDKIT_FRAGCATALOG_BUILD)
rdkit_library(FragCatalog
FragCatalogUtils.cpp FragCatGenerator.cpp FragCatalogEntry.cpp
FragCatParams.cpp FragFPGenerator.cpp
LINK_LIBRARIES Subgraphs SubstructMatch SmilesParse Catalogs GraphMol RDGeometryLib RDGeneral )
rdkit_headers(FragCatalogEntry.h
FragCatalogUtils.h
FragCatGenerator.h
FragCatParams.h
FragFPGenerator.h DEST GraphMol/FragCatalog)
rdkit_test(testFragCatalog test1.cpp LINK_LIBRARIES FragCatalog Subgraphs SubstructMatch SmilesParse Catalogs FileParsers GraphMol DataStructs RDGeometryLib RDGeneral )
add_subdirectory(Wrap)
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