Searched refs:calculateSubstitutableHydrogenAtoms (Results 1 – 8 of 8) sorted by relevance
26 assertEquals(2, StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(a)); in thia()34 assertEquals(3, StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(a)); in thionia()42 assertEquals(1, StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(a)); in sulfanylia()50 assertEquals(1, StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(a)); in sulfanida()58 assertEquals(3, StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(a)); in sulfanuida()67 assertEquals(4, StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(a)); in replaceNeutralWithCharged()77 assertEquals(4, StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(a)); in replaceChargedWithEquallyCharged()
45 int expectedHydrogenA = StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(a); in compare()46 int expectedHydrogenB = StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(b); in compare()72 int aExpectedHydrogen = StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(a); in compare()73 int bExpectedHydrogen = StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(b); in compare()
113 int explicitHydrogensToAdd = StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(atom); in analyseRelevantAtomsAndBonds()
296 int substitutableHydrogen = calculateSubstitutableHydrogenAtoms(atom); in performPerHalogenoSubstitution()1437 if (calculateSubstitutableHydrogenAtoms(toAtom) ==0){ in performAdditiveOperations()1448 if (calculateSubstitutableHydrogenAtoms(toAtom) ==0){ in performAdditiveOperations()1472 if (calculateSubstitutableHydrogenAtoms(toAtom) ==0){ in performAdditiveOperations()1483 if (calculateSubstitutableHydrogenAtoms(toAtom) ==0){ in performAdditiveOperations()2508 static int calculateSubstitutableHydrogenAtoms(Atom atom) { in calculateSubstitutableHydrogenAtoms() method in StructureBuildingMethods
501 int substitableHydrogen = StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(a); in applyUnlocantedChargeModification()
686 …int explicitHydrogensToAdd = StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(parentAt… in makeHydrogensExplicit()
612 …if (StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(atom) < hydrogenRequiredForSubsti… in acidHasSufficientHydrogenForSubstitutionInterpretation()
4218 if (StructureBuildingMethods.calculateSubstitutableHydrogenAtoms(atom) > 0){ in implicitlyBracketToPreviousSubstituentIfAppropriate()