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Searched refs:removeOutAtom (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 DBuildResults.java78 OutAtom removeOutAtom(int i) { in removeOutAtom() method in BuildResults
80 outAtom.getAtom().getFrag().removeOutAtom(outAtom); in removeOutAtom()
86 removeOutAtom(i); in removeAllOutAtoms()
H A DFragment.java357 void removeOutAtom(int i) { in removeOutAtom() method in Fragment
368 void removeOutAtom(OutAtom outAtom) { in removeOutAtom() method in Fragment
H A DStructureBuilder.java274 substituentsBr.removeOutAtom(0); in buildEster()
347 substituent1.removeOutAtom(0); in buildDiValentFunctionalGroup()
349 substituent2.removeOutAtom(0); in buildDiValentFunctionalGroup()
352 diValentGroup.removeOutAtom(0); in buildDiValentFunctionalGroup()
423 substituentBR.removeOutAtom(0); in buildMonovalentFunctionalGroup()
798 replacementFrag.removeOutAtom(0); in replaceCarbonylOxygenWithReplacementFragments()
1235 theDiRadical.removeOutAtom(1); in buildGlycol()
1236 theDiRadical.removeOutAtom(0); in buildGlycol()
1282 br.removeOutAtom(0); in buildGlycolEther()
1587 subBr.removeOutAtom(i); in connectSubstituentsToAcetal()
[all …]
H A DStructureBuildingMethods.java316 halogen.removeOutAtom(0); in performPerHalogenoSubstitution()
1723 multiRadicalFrag.removeOutAtom(multiRadicalOutAtom); in performMultiplicativeOperations()
1978 parentFrag.removeOutAtom(in); in joinFragmentsAdditively()
2004 fragToBeJoined.removeOutAtom(nextOutAtom); in joinFragmentsAdditively()
2019 fragToBeJoined.removeOutAtom(out); in joinFragmentsAdditively()
2058 fragToBeJoined.removeOutAtom(out); in joinFragmentsSubstitutively()
2088 bridgingFragment.removeOutAtom(0); in formEpoxide()
2113 bridgingFragment.removeOutAtom(0); in formEpoxide()
2495 frag.removeOutAtom(i); in checkAndApplySpecialCaseWhereOutAtomsCanBeCombinedOrThrow()
H A DFunctionalReplacement.java380 replacementFrag.removeOutAtom(0); in processInfixFunctionalReplacementNomenclature()
981 atomToBeReplaced.getFrag().removeOutAtom(i); in moveObsoleteOutAtoms()
H A DComponentProcessor.java417 newFrag.removeOutAtom(newFragOutAtom); in processXyleneLikeNomenclature()
3060 fragmentToResolveAndDuplicate.removeOutAtom(0); in processRingAssemblies()
3073 fragmentToResolveAndDuplicate.removeOutAtom(0); in processRingAssemblies()
3074 clone.removeOutAtom(0); in processRingAssemblies()
3935 thisFrag.removeOutAtom(nextOutAtom); in handleMultiRadicals()