@Test public void testIsCharacteristicAtomHydroxy() throws StructureBuildingException{ List<Atom> phenolAtoms = fm.buildSMILES("Oc1ccccc1").getAtomList(); assertTrue(FragmentTools.isCharacteristicAtom(phenolAtoms.get(0))); for (int i = 1; i < phenolAtoms.size(); i++) { assertFalse(FragmentTools.isCharacteristicAtom(phenolAtoms.get(i))); } }
List<Atom> getAtomList() { return new ArrayList<Atom>(atomCollection); }
Fragment implements Iterable<Atom> { List<Atom> getAtomList() { return new ArrayList<Atom>(atomCollection); } }
Fragment implements Iterable<Atom> { List<Atom> getAtomList() { return new ArrayList<Atom>(atomCollection); } Fragment(Element tokenEl);   Fragment(String type); }
Fragment implements Iterable<Atom> { List<Atom> getAtomList() { return new ArrayList<Atom>(atomCollection); } Fragment(Element tokenEl);   Fragment(String type); @Override Iterator<Atom> iterator(); }
Fragment implements Iterable<Atom> { List<Atom> getAtomList() { return new ArrayList<Atom>(atomCollection); } Fragment(Element tokenEl);   Fragment(String type); @Override Iterator<Atom> iterator();  }