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Searched refs:numToUnsaturate (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 DStructureBuildingMethods.java973 … unsaturateBonds(BuildState state, Fragment frag, int bondOrder, int numToUnsaturate) throws Struc… in unsaturateBonds() argument
976 if (bondsThatCouldBeUnsaturated.size() < numToUnsaturate){ in unsaturateBonds()
982 if (bondsThatCouldBeUnsaturated.size() < numToUnsaturate){ in unsaturateBonds()
985 if (bondsThatCouldBeUnsaturated.size() > numToUnsaturate) { in unsaturateBonds()
988 if (!isCycloAlkaneSpecialCase(frag, numToUnsaturate, bondsThatCouldBeUnsaturated) && in unsaturateBonds()
990 if (alternativeBondsThatCouldBeUnsaturated.size() >= numToUnsaturate) { in unsaturateBonds()
994 numToUnsaturate == 1 )) { in unsaturateBonds()
1000 (numToUnsaturate == 1 || numToUnsaturate == bondsThatCouldBeUnsaturated.size() - 1))){ in unsaturateBonds()
1006 for (int i = 0; i < numToUnsaturate; i++) { in unsaturateBonds()
1011 …private static boolean isCycloAlkaneSpecialCase(Fragment frag, int numToUnsaturate, List<Bond> bon… in isCycloAlkaneSpecialCase() argument
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