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rdkit_library(MolStandardize
Pipeline.cpp
MolStandardize.cpp
Metal.cpp
Normalize.cpp
Validate.cpp
Charge.cpp
Tautomer.cpp
Fragment.cpp
FragmentCatalog/FragmentCatalogEntry.cpp
FragmentCatalog/FragmentCatalogParams.cpp
FragmentCatalog/FragmentCatalogUtils.cpp
AcidBaseCatalog/AcidBaseCatalogEntry.cpp
AcidBaseCatalog/AcidBaseCatalogParams.cpp
AcidBaseCatalog/AcidBaseCatalogUtils.cpp
TransformCatalog/TransformCatalogEntry.cpp
TransformCatalog/TransformCatalogParams.cpp
TransformCatalog/TransformCatalogUtils.cpp
TautomerCatalog/TautomerCatalogEntry.cpp
TautomerCatalog/TautomerCatalogParams.cpp
TautomerCatalog/TautomerCatalogUtils.cpp
LINK_LIBRARIES ChemReactions ChemTransforms SmilesParse SubstructMatch GraphMol )
target_compile_definitions(MolStandardize PRIVATE RDKIT_MOLSTANDARDIZE_BUILD)
rdkit_headers(
Pipeline.h
MolStandardize.h
Metal.h
Normalize.h
Validate.h
Charge.h
Tautomer.h
Fragment.h
DEST GraphMol/MolStandardize)
rdkit_headers(
FragmentCatalog/FragmentCatalogEntry.h
FragmentCatalog/FragmentCatalogParams.h
FragmentCatalog/FragmentCatalogUtils.h
DEST GraphMol/MolStandardize/FragmentCatalog)
rdkit_headers(
AcidBaseCatalog/AcidBaseCatalogEntry.h
AcidBaseCatalog/AcidBaseCatalogParams.h
AcidBaseCatalog/AcidBaseCatalogUtils.h
DEST GraphMol/MolStandardize/AcidBaseCatalog)
rdkit_headers(
TransformCatalog/TransformCatalogEntry.h
TransformCatalog/TransformCatalogParams.h
TransformCatalog/TransformCatalogUtils.h
DEST GraphMol/MolStandardize/TransformCatalog)
rdkit_headers(
TautomerCatalog/TautomerCatalogEntry.h
TautomerCatalog/TautomerCatalogParams.h
TautomerCatalog/TautomerCatalogUtils.h
DEST GraphMol/MolStandardize/TautomerCatalog)
if(RDK_BUILD_PYTHON_WRAPPERS)
add_subdirectory(Wrap)
endif()
rdkit_test(molStandardizeTest test1.cpp LINK_LIBRARIES MolStandardize )
rdkit_test(molNormalizeTest testNormalize.cpp LINK_LIBRARIES MolStandardize )
rdkit_test(molValidateTest testValidate.cpp LINK_LIBRARIES MolStandardize )
rdkit_test(molChargeTest testCharge.cpp LINK_LIBRARIES MolStandardize )
rdkit_test(molTautomerTest testTautomer.cpp LINK_LIBRARIES MolStandardize )
rdkit_test(molStandardizeSmallTest test2.cpp LINK_LIBRARIES MolStandardize )
rdkit_test(molFragmentTest testFragment.cpp LINK_LIBRARIES MolStandardize )
rdkit_catch_test(molStandardizeCatchTest catch_tests.cpp LINK_LIBRARIES MolStandardize )
rdkit_catch_test(molStandardizePipelineTest testPipeline.cpp LINK_LIBRARIES MolStandardize)
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