Home
last modified time | relevance | path

Searched refs:replaceableAtoms (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 DFunctionalReplacement.java645 List<Atom> replaceableAtoms = new ArrayList<Atom>(); in performChalcogenFunctionalReplacement() local
653 replaceableAtoms.add(oxygen); in performChalcogenFunctionalReplacement()
674 replaceableAtoms.addAll(doubleBondedOxygen); in performChalcogenFunctionalReplacement()
675 replaceableAtoms.addAll(singleBondedOxygen); in performChalcogenFunctionalReplacement()
676 replaceableAtoms.addAll(ethericOxygen); in performChalcogenFunctionalReplacement()
679 int totalOxygen = replaceableAtoms.size(); in performChalcogenFunctionalReplacement()
694 for (Atom atomToReplace : replaceableAtoms) { in performChalcogenFunctionalReplacement()