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rdkit_library(Fingerprints
Fingerprints.cpp PatternFingerprints.cpp MorganFingerprints.cpp
AtomPairs.cpp MACCS.cpp MHFP.cpp FingerprintGenerator.cpp
AtomPairGenerator.cpp MorganGenerator.cpp RDKitFPGenerator.cpp
FingerprintUtil.cpp TopologicalTorsionGenerator.cpp
LINK_LIBRARIES DataStructs Subgraphs SubstructMatch SmilesParse GraphMol RDGeneral
)
target_compile_definitions(Fingerprints PRIVATE RDKIT_FINGERPRINTS_BUILD)
rdkit_headers(AtomPairs.h
Fingerprints.h
MorganFingerprints.h
MACCS.h
MHFP.h
FingerprintGenerator.h
AtomPairGenerator.h
MorganGenerator.h
RDKitFPGenerator.h
TopologicalTorsionGenerator.h
FingerprintUtil.h
DEST GraphMol/Fingerprints)
rdkit_test(testFingerprints test1.cpp LINK_LIBRARIES
Fingerprints FileParsers )
rdkit_test(testMHFPFingerprint testMHFPFingerprint.cpp LINK_LIBRARIES
Fingerprints FileParsers )
rdkit_test(testFingerprintGenerators testFingerprintGenerators.cpp LINK_LIBRARIES
Fingerprints FileParsers )
rdkit_catch_test(fpTestCatch catch_tests.cpp LINK_LIBRARIES Fingerprints FileParsers)
rdkit_catch_test(fpGenTestCatch fpgen_catch_tests.cpp LINK_LIBRARIES Fingerprints FileParsers)
if(RDK_BUILD_PYTHON_WRAPPERS)
add_subdirectory(Wrap)
endif()
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