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Searched refs:assignLocant (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.java268 assignLocant(atom, elementCount); in processMainGroupLabelling()
306 assignLocant(firstAtom, elementCount); in processNonCarboxylicAcidLabelling()
314 assignLocant(atom, elementCount); in assignLocantsAndExploreNeighbours()
343 private static void assignLocant(Atom atom, Map<String, Integer> elementCount) { in assignLocant() method in FragmentTools
H A DFragmentManager.java217 …void replaceAtomWithAtom(Atom a, Atom heteroAtom, boolean assignLocant) throws StructureBuildingEx… in replaceAtomWithAtom() argument
233 if (assignLocant){ in replaceAtomWithAtom()