Searched refs:getFunctionalAtom (Results 1 – 8 of 8) sorted by relevance
46 functionalAtoms.add(frag.getFunctionalAtom(i)); in BuildResults()95 Atom getFunctionalAtom(int i) { in getFunctionalAtom() method in BuildResults
267 ateAtom =ateBr.getFunctionalAtom(0); in buildEster()468 functionalAtom = acidBr.getFunctionalAtom(0); in buildFunctionalClassEster()939 functionalAtoms.add(br1.getFunctionalAtom(i)); in buildAnhydride()991 Atom oxygen1 = acidBr1.getFunctionalAtom(0); in formAnhydrideLink()993 Atom oxygen2 = acidBr2.getFunctionalAtom(0); in formAnhydrideLink()1072 Atom acidAtom = acidBr.getFunctionalAtom(i); in buildAcidHalideOrPseudoHalide()1285 Atom ateAtom = br.getFunctionalAtom(0); in buildGlycolEther()1479 Atom functionalAtom = br.getFunctionalAtom(0); in buildAlcoholEster()1701 Atom possibleAtom = mainGroupBR.getFunctionalAtom(i); in determineFunctionalAtomToUse()1714 Atom possibleAtom = mainGroupBR.getFunctionalAtom(i); in determineFunctionalAtomToUse()[all …]
953 FunctionalAtom functionalAtom = origFrag.getFunctionalAtom(i); in removeOrMoveObsoleteFunctionalAtoms()992 FunctionalAtom functionalAtom = frag.getFunctionalAtom(i); in removeAssociatedFunctionalAtom()1071 Atom a = suffixFrag.getFunctionalAtom(i).getAtom(); in findFunctionalOxygenAtomsInApplicableSuffixes()1090 Atom a = frag.getFunctionalAtom(i).getAtom(); in findFunctionalOxygenAtomsInGroup()
387 FunctionalAtom getFunctionalAtom(int i) { in getFunctionalAtom() method in Fragment
566 Atom atom = frag.getFunctionalAtom(i).getAtom(); in swapElementsSuchThatThisElementIsAcidic()
460 FunctionalAtom functionalAtom = originalFragment.getFunctionalAtom(i); in copyAndRelabelFragment()
876 if (atom.equals(frag.getFunctionalAtom(i).getAtom())){ in isFunctionalAtom()
703 if (atomToRemove.equals(fragment.getFunctionalAtom(i).getAtom())) { in applySubtractivePrefix()735 if (atomToRemove.equals(fragment.getFunctionalAtom(j).getAtom())) { in applyUnlocantedSubtractivePrefixes()