@Test public void testLabelHydrazonicAmide() throws StructureBuildingException { frag = fm.buildSMILES("C", ACIDSTEM_TYPE_VAL, NONE_LABELS_VAL); Fragment suffixfrag = fm.buildSMILES("[R](N)=NN", SUFFIX_TYPE_VAL, NONE_LABELS_VAL); List<Fragment> suffixes = new ArrayList<Fragment>(); suffixes.add(suffixfrag); FragmentTools.assignElementLocants(frag, suffixes); fm.incorporateFragment(suffixfrag, frag); assertEquals("Can find locant N in frag: ID = 3", 3, frag.getIDFromLocant("N")); assertEquals("Can find locant N'' in frag: ID = 5", 5, frag.getIDFromLocant("N''")); assertEquals("Can find locant N' in frag: ID = 5", 5, frag.getIDFromLocant("N'")); }
int getIDFromLocant(String locant) { Atom a = getAtomByLocant(locant); if (a != null){ return a.getID(); } return 0; }
Fragment implements Iterable<Atom> { int getIDFromLocant(String locant) { Atom a = getAtomByLocant(locant); if (a != null){ return a.getID(); } return 0; } }
Fragment implements Iterable<Atom> { int getIDFromLocant(String locant) { Atom a = getAtomByLocant(locant); if (a != null){ return a.getID(); } return 0; } Fragment(Element tokenEl);   Fragment(String type); }
Fragment implements Iterable<Atom> { int getIDFromLocant(String locant) { Atom a = getAtomByLocant(locant); if (a != null){ return a.getID(); } return 0; } Fragment(Element tokenEl);   Fragment(String type); @Override Iterator<Atom> iterator(); }
Fragment implements Iterable<Atom> { int getIDFromLocant(String locant) { Atom a = getAtomByLocant(locant); if (a != null){ return a.getID(); } return 0; } Fragment(Element tokenEl);   Fragment(String type); @Override Iterator<Atom> iterator();  }