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Searched refs:bondsToUnsaturate (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 DFusedRingBuilder.java332 List<Bond> bondsToUnsaturate = StructureBuildingMethods.findBondsToUnSaturate(ring, 2, true); in processPartiallyUnsaturatedHWSystems() local
333 if (bondsToUnsaturate.size() == 0) { in processPartiallyUnsaturatedHWSystems()
336 Bond b = bondsToUnsaturate.get(0); in processPartiallyUnsaturatedHWSystems()
H A DStructureBuildingMethods.java1289 List<Bond> bondsToUnsaturate = new ArrayList<Bond>(); in findBondsToUnSaturate() local
1301 if (bondsToUnsaturate.contains(bond)) { in findBondsToUnSaturate()
1317 … if (bond.getOrder() == 1 && !bondsToUnsaturate.contains(bond) && !bondsToIgnore.contains(bond)) { in findBondsToUnSaturate()
1329 if (bondsToUnsaturate.contains(bond2)) { in findBondsToUnSaturate()
1344 bondsToUnsaturate.add(bond); in findBondsToUnSaturate()
1350 return bondsToUnsaturate; in findBondsToUnSaturate()