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Searched defs:fusedRing (Results 1 – 6 of 6) sorted by relevance

/dports/science/opsin/dan2097-opsin-9b25f7546b67/opsin-core/src/main/java/uk/ac/cam/ch/wwmm/opsin/
H A DFusedRingBuilder.java743 …HigherOrderFusion(String fusionDescriptor, Fragment nextComponent, Fragment fusedRing) throws Stru… in performHigherOrderFusion()
953 Fragment fusedRing =parentRing; in benzoSpecificFusion() local
963 …private void setBenzoHeteroatomPositioning(Element benzoEl, Fragment fusedRing) throws StructureBu… in setBenzoHeteroatomPositioning()
H A DFusedRingNumberer.java258 static void numberFusedRing(Fragment fusedRing) throws StructureBuildingException { in numberFusedRing()
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Depictor/
H A DDepictUtils.cpp181 for (const auto &fusedRing : fusedRings) { in pickFirstRingToEmbed() local
239 for (const auto &fusedRing : fusedRings) { in findNextRingToEmbed() local
/dports/science/opsin/dan2097-opsin-9b25f7546b67/opsin-core/src/test/java/uk/ac/cam/ch/wwmm/opsin/
H A DFusedRingNumbererTest.java447 Fragment fusedRing = sBuilder.build(smiles, mock(Element.class), XmlDeclarations.NONE_LABELS_VAL); in compareNumbering() local
/dports/science/coordgenlibs/coordgenlibs-3.0.0/
H A DCoordgenFragmentBuilder.cpp1031 auto fusedRing = r->fusedWith.at(ringCounter); in simplifyRingSystem() local
/dports/science/openbabel/openbabel-3.1.1/external/coordgen-master/coordgen/
H A DCoordgenFragmentBuilder.cpp1026 auto fusedRing = r->fusedWith.at(ringCounter); in simplifyRingSystem() local