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

/dports/science/opsin/dan2097-opsin-9b25f7546b67/opsin-core/src/main/java/uk/ac/cam/ch/wwmm/opsin/
H A DStructureBuildingMethods.java1026 …kaneHeteroatomSpecialCase(Fragment frag, int numHeteroatoms, List<Atom> atomsThatCouldBeReplaced) { in isCycloAlkaneHeteroatomSpecialCase() argument
1029 …frag.getFirstAtom().getAtomIsInACycle() && atomsThatCouldBeReplaced.get(0).equals(frag.getFirstAto… in isCycloAlkaneHeteroatomSpecialCase()
1100 List<Atom> atomsThatCouldBeReplaced = new ArrayList<Atom>(); in applyUnlocantedHeteroatoms() local
1118 atomsThatCouldBeReplaced.add(atom); in applyUnlocantedHeteroatoms()
1121 if (atomsThatCouldBeReplaced.size() < replacementsRequired){ in applyUnlocantedHeteroatoms()
1125 …f (atomsThatCouldBeReplaced.size() > replacementsRequired && !isCycloAlkaneHeteroatomSpecialCase(f… in applyUnlocantedHeteroatoms()
1126 if (!(AmbiguityChecker.allAtomsEquivalent(atomsThatCouldBeReplaced) && in applyUnlocantedHeteroatoms()
1127 (replacementsRequired == 1 || replacementsRequired == atomsThatCouldBeReplaced.size() - 1))) { in applyUnlocantedHeteroatoms()
1134 Atom atomToReplaceWithHeteroAtom = atomsThatCouldBeReplaced.get(i); in applyUnlocantedHeteroatoms()