AtomValenceDescriptor extends AbstractAtomicDescriptor implements IAtomicDescriptor { public AtomValenceDescriptor() {} AtomValenceDescriptor(); @Override DescriptorSpecification getSpecification(); @Override void setParameters(Object[] params); @Override Object[] getParameters(); @Override String[] getDescriptorNames(); @Override DescriptorValue calculate(IAtom atom, IAtomContainer container); @Override String[] getParameterNames(); @Override Object getParameterType(String name);  }
@Test public void testAtomValenceDescriptor() throws ClassNotFoundException, CDKException, java.lang.Exception { IAtomicDescriptor descriptor = new AtomValenceDescriptor(); SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance()); IAtomContainer mol = sp.parseSmiles("CCCl"); Assert.assertEquals(7, ((IntegerResult) descriptor.calculate(mol.getAtom(2), mol).getValue()).intValue()); }