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Searched refs:atomsVisited (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 DFragmentTools.java278 Set<Atom> atomsVisited = new HashSet<Atom>(); in processSuffixLabelling() local
282 atomsVisited.addAll(nextAtoms); in processSuffixLabelling()
289 assignLocantsAndExploreNeighbours(elementCount, atomsToIgnore, atomsVisited, atomsToConsider); in processSuffixLabelling()
294 Set<Atom> atomsVisited = new HashSet<Atom>(); in processNonCarboxylicAcidLabelling() local
299 atomsVisited.add(firstAtom); in processNonCarboxylicAcidLabelling()
312 atomsVisited.add(atom); in assignLocantsAndExploreNeighbours()
317 atomsToExplore.removeAll(atomsVisited); in assignLocantsAndExploreNeighbours()
737 Set<Atom> atomsVisited = new HashSet<Atom>(); in getAtomByAminoAcidStyleLocant() local
740 atomsVisited.add(neighbour); in getAtomByAminoAcidStyleLocant()
758 atomsVisited.add(atom); in getAtomByAminoAcidStyleLocant()
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H A DOpsinTools.java170 Set<Atom> atomsVisited = new HashSet<Atom>(); in depthFirstSearchForNonSuffixAtomWithLocant() local
173 atomsVisited.add(currentAtom); in depthFirstSearchForNonSuffixAtomWithLocant()
176 if (atomsVisited.contains(neighbour)){//already visited in depthFirstSearchForNonSuffixAtomWithLocant()
205 Set<Atom> atomsVisited = new HashSet<Atom>(); in depthFirstSearchForAtomWithNumericLocant() local
208 atomsVisited.add(currentAtom); in depthFirstSearchForAtomWithNumericLocant()
211 if (atomsVisited.contains(neighbour)){//already visited in depthFirstSearchForAtomWithNumericLocant()