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Searched refs:IsotopeLabels (Results 1 – 5 of 5) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/RGroupDecomposition/
H A DRGroupDecompParams.cpp27 if (autoLabels & IsotopeLabels) { in hasLabel()
99 return autoLabels | IsotopeLabels; in autoGetLabels()
219 if (!found && (autoLabels & IsotopeLabels) && atom->getIsotope() > 0) { in prepareCore()
H A DRGroupDecomp.h30 IsotopeLabels = 0x01, enumerator
H A DtestRGroupDecomp.cpp231 params.labels = IsotopeLabels; in testRGroupOnlyMatching()
271 params.labels = IsotopeLabels; in testRingMatching()
1698 params.labels = IsotopeLabels | RelabelDuplicateLabels; in testMultiCorePreLabelled()
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/RGroupDecomposition/Wrap/
H A DrdRGroupComposition.cpp186 .value("IsotopeLabels", RDKit::IsotopeLabels) in wrap()
H A Dtest_rgroups.py532 params.labels = RGroupLabels.IsotopeLabels | RGroupLabels.RelabelDuplicateLabels