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Searched refs:outAtom2 (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 DStructureBuilder.java348 Atom outAtom2 = getOutAtomTakingIntoAccountWhetherSetExplicitly(substituent2, 0); in buildDiValentFunctionalGroup() local
353 state.fragManager.createBond(outAtom2, diValentGroup.getFirstAtom(), 1); in buildDiValentFunctionalGroup()
356 if (outAtom1 != outAtom2){//general case in buildDiValentFunctionalGroup()
358 state.fragManager.createBond(outAtom2, diValentGroup.getFirstAtom(), 1); in buildDiValentFunctionalGroup()
1227 OutAtom outAtom2 = theDiRadical.getOutAtom(1); in buildGlycol() local
1228 …Atom chosenAtom2 = outAtom2.isSetExplicitly() ? outAtom2.getAtom() : findAtomForUnlocantedRadical(… in buildGlycol()
1230 if (outAtom2.getValency() != 1){ in buildGlycol()
1231 …eBuildingException("OutAtom has unexpected valency. Expected 1. Actual: " + outAtom2.getValency()); in buildGlycol()
H A DStructureBuildingMethods.java2112 OutAtom outAtom2 = bridgingFragment.getOutAtom(0); in formEpoxide() local
2114 if (outAtom1.getAtom().equals(outAtom2.getAtom()) && firstAtomToJoinTo == secondAtomToJoinTo){ in formEpoxide()
2117 int bondValency = outAtom2.getValency(); in formEpoxide()
2118 if (outAtom2.getAtom().hasSpareValency() && !secondAtomToJoinTo.hasSpareValency()) { in formEpoxide()
2123 state.fragManager.createBond(outAtom2.getAtom(), secondAtomToJoinTo, bondValency); in formEpoxide()