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Searched refs:FUNCTIONALCLASS_TYPE_VAL (Results 1 – 2 of 2) sorted by relevance

/dports/science/opsin/dan2097-opsin-9b25f7546b67/opsin-core/src/main/java/uk/ac/cam/ch/wwmm/opsin/
H A DXmlDeclarations.java385 static final String FUNCTIONALCLASS_TYPE_VAL ="functionalClass"; field in XmlDeclarations
H A DStructureBuilder.java344 …Fragment diValentGroup =state.fragManager.buildSMILES(smilesOfGroup, FUNCTIONALCLASS_TYPE_VAL, NON… in buildDiValentFunctionalGroup()
389 …ildSMILES(functionalGroups.get(0).getAttributeValue(VALUE_ATR), FUNCTIONALCLASS_TYPE_VAL, NONE_LAB… in buildMonovalentFunctionalGroup()
539 …oxideFragments.add(state.fragManager.buildSMILES(smilesReplacement, FUNCTIONALCLASS_TYPE_VAL, labe… in buildOxide()
710 …mentFragment = state.fragManager.buildSMILES(smilesReplacement, FUNCTIONALCLASS_TYPE_VAL, labels !… in buildCarbonylDerivative()
1011 …Fragment anhydride = state.fragManager.buildSMILES(anhydrideSmiles, FUNCTIONALCLASS_TYPE_VAL, NONE… in formAnhydrideLink()
1039 …ildSMILES(functionalGroups.get(0).getAttributeValue(VALUE_ATR), FUNCTIONALCLASS_TYPE_VAL, NONE_LAB… in buildAcidHalideOrPseudoHalide()
1102 …Manager.buildSMILES(functionGroup.getAttributeValue(VALUE_ATR), FUNCTIONALCLASS_TYPE_VAL, NONE_LAB… in buildAdditionCompound()
1220 …dSMILES(functionalClassEls.get(0).getAttributeValue(VALUE_ATR), FUNCTIONALCLASS_TYPE_VAL, NONE_LAB… in buildGlycol()
1229 Fragment hydroxy =state.fragManager.buildSMILES("O", FUNCTIONALCLASS_TYPE_VAL, NONE_LABELS_VAL); in buildGlycol()