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rdkit_library(GraphMol
Atom.cpp QueryAtom.cpp QueryBond.cpp Bond.cpp
MolOps.cpp FindRings.cpp ROMol.cpp RWMol.cpp PeriodicTable.cpp
atomic_data.cpp QueryOps.cpp MolPickler.cpp Canon.cpp
AtomIterators.cpp BondIterators.cpp Aromaticity.cpp Kekulize.cpp
MolDiscriminators.cpp ConjugHybrid.cpp AddHs.cpp
Matrices.cpp Chirality.cpp RingInfo.cpp Conformer.cpp
Renumber.cpp AdjustQuery.cpp Resonance.cpp StereoGroup.cpp
new_canon.cpp SubstanceGroup.cpp FindStereo.cpp
SHARED
LINK_LIBRARIES RDGeometryLib RDGeneral )
target_compile_definitions(GraphMol PRIVATE RDKIT_GRAPHMOL_BUILD)
if(RDK_USE_URF)
target_link_libraries(GraphMol PUBLIC ${RDK_URF_LIBS})
endif()
rdkit_headers(Atom.h
atomic_data.h
AtomIterators.h
Bond.h
BondIterators.h
Canon.h
Chirality.h
Conformer.h
details.h
GraphMol.h
MolOps.h
MolPickler.h
PeriodicTable.h
QueryAtom.h
QueryBond.h
QueryOps.h
RDKitBase.h
RDKitQueries.h
Resonance.h
RingInfo.h
Rings.h
ROMol.h
RWMol.h
SanitException.h
SubstanceGroup.h
StereoGroup.h
MonomerInfo.h
new_canon.h
MolBundle.h
DEST GraphMol)
add_subdirectory(Depictor)
add_subdirectory(SmilesParse)
add_subdirectory(FileParsers)
add_subdirectory(Substruct)
add_subdirectory(ChemReactions)
add_subdirectory(ChemTransforms)
add_subdirectory(TautomerQuery)
add_subdirectory(Subgraphs)
add_subdirectory(FilterCatalog)
add_subdirectory(FragCatalog)
add_subdirectory(Descriptors)
add_subdirectory(Fingerprints)
add_subdirectory(PartialCharges)
add_subdirectory(MolTransforms)
add_subdirectory(ForceFieldHelpers)
add_subdirectory(DistGeomHelpers)
add_subdirectory(MolAlign)
add_subdirectory(MolChemicalFeatures)
add_subdirectory(ShapeHelpers)
add_subdirectory(MolCatalog)
add_subdirectory(MolDraw2D)
add_subdirectory(FMCS)
add_subdirectory(MolHash)
add_subdirectory(MMPA)
add_subdirectory(CIPLabeler)
add_subdirectory(Deprotect)
if(RDK_BUILD_STRUCTCHECKER_SUPPORT)
add_subdirectory(StructChecker)
endif()
add_subdirectory(ReducedGraphs)
add_subdirectory(Trajectory)
add_subdirectory(SubstructLibrary)
add_subdirectory(RGroupDecomposition)
if(RDK_BUILD_MOLINTERCHANGE_SUPPORT)
add_subdirectory(MolInterchange)
endif(RDK_BUILD_MOLINTERCHANGE_SUPPORT)
if(RDK_BUILD_SLN_SUPPORT AND NOT CMAKE_COMPILER_IS_CLANG)
if(CMAKE_COMPILER_IS_GNUCC AND NOT CMAKE_CXX_COMPILER_VERSION GREATER 4.8)
message("Skipping SLN build with gcc version <= 4.8")
else()
add_subdirectory(SLNParse)
endif()
endif()
if(RDK_BUILD_PYTHON_WRAPPERS)
add_subdirectory(Wrap)
endif()
add_subdirectory(MolStandardize)
add_subdirectory(ScaffoldNetwork)
add_subdirectory(MolEnumerator)
add_subdirectory(Abbreviations)
rdkit_test(graphmolTest1 test1.cpp LINK_LIBRARIES FileParsers SmilesParse GraphMol
SubstructMatch ForceFieldHelpers ForceField)
rdkit_test(graphmolcpTest cptest.cpp LINK_LIBRARIES SmilesParse GraphMol)
rdkit_test(graphmolqueryTest querytest.cpp LINK_LIBRARIES SubstructMatch SmilesParse GraphMol)
rdkit_test(graphmolMolOpsTest molopstest.cpp
LINK_LIBRARIES SubstructMatch FileParsers
SmilesParse GraphMol )
rdkit_test(graphmoltestChirality testChirality.cpp
LINK_LIBRARIES SmilesParse FileParsers
GraphMol )
rdkit_test(graphmoltestPickler testPickler.cpp
LINK_LIBRARIES SmilesParse SubstructMatch FileParsers GraphMol )
rdkit_test(graphmoltestPicklerGlobalSetting testPicklerGlobalSettings.cpp
LINK_LIBRARIES SmilesParse SubstructMatch FileParsers GraphMol )
rdkit_test(graphmolIterTest itertest.cpp LINK_LIBRARIES SmilesParse GraphMol )
rdkit_test(hanoiTest hanoitest.cpp LINK_LIBRARIES
SubstructMatch SmilesParse FileParsers GraphMol
)
rdkit_test(graphmolMemTest1 memtest1.cpp LINK_LIBRARIES SmilesParse GraphMol )
rdkit_test(resMolSupplierTest resMolSupplierTest.cpp
LINK_LIBRARIES SmilesParse GraphMol SubstructMatch FileParsers)
rdkit_test(molBundleTest testMolBundle.cpp
LINK_LIBRARIES SmilesParse GraphMol SubstructMatch FileParsers)
rdkit_test(testSGroup testSGroup.cpp LINK_LIBRARIES FileParsers GraphMol)
rdkit_test(test-valgrind test-valgrind.cpp LINK_LIBRARIES SmilesParse GraphMol )
rdkit_catch_test(graphmolTestsCatch catch_graphmol.cpp catch_main.cpp
LINK_LIBRARIES SubstructMatch FileParsers SmilesParse GraphMol )
rdkit_catch_test(graphmolSGroupCatch catch_sgroups.cpp catch_main.cpp
LINK_LIBRARIES SmilesParse FileParsers GraphMol )
rdkit_catch_test(graphmolAdjustQueryCatch catch_adjustquery.cpp catch_main.cpp
LINK_LIBRARIES SubstructMatch FileParsers SmilesParse GraphMol )
rdkit_catch_test(chiralityTestsCatch catch_chirality.cpp catch_main.cpp
LINK_LIBRARIES FileParsers SmilesParse GraphMol )
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