Searched refs:findBondsToUnSaturate (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 D | StructureBuildingMethods.java | 974 List<Bond> bondsThatCouldBeUnsaturated = findBondsToUnSaturate(frag, bondOrder, false); in unsaturateBonds() 977 bondsThatCouldBeUnsaturated = findBondsToUnSaturate(frag, bondOrder, true); in unsaturateBonds() 1273 return findBondsToUnSaturate(frag, bondOrder, false, new HashSet<Bond>(bondsToIgnore)); in findAlternativeBondsToUnSaturate() 1284 …static List<Bond> findBondsToUnSaturate(Fragment frag, int bondOrder, boolean allowAdjacentUnsatur… in findBondsToUnSaturate() method in StructureBuildingMethods 1285 …return findBondsToUnSaturate(frag, bondOrder, allowAdjacentUnsaturatedBonds, Collections.<Bond>emp… in findBondsToUnSaturate() 1288 …private static List<Bond> findBondsToUnSaturate(Fragment frag, int bondOrder, boolean allowAdjacen… in findBondsToUnSaturate() method in StructureBuildingMethods
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H A D | FusedRingBuilder.java | 332 List<Bond> bondsToUnsaturate = StructureBuildingMethods.findBondsToUnSaturate(ring, 2, true); in processPartiallyUnsaturatedHWSystems()
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