@Test
public void testExample1() throws Exception {

    //firstly read file to molecule
    String filename = "data/mdl/hydroxyamino.mol" + "";
    InputStream ins = this.getClass().getClassLoader().getResourceAsStream(filename);
    MDLV2000Reader reader = new MDLV2000Reader(ins, Mode.STRICT);
    ChemFile chemFile = (ChemFile) reader.read((ChemObject) new ChemFile());
    IChemSequence seq = chemFile.getChemSequence(0);
    IChemModel model = seq.getChemModel(0);
    IAtomContainerSet som = model.getMoleculeSet();
    IAtomContainer mol = som.getAtomContainer(0);
    RDFProtonDescriptor_GHR descriptor = new RDFProtonDescriptor_GHR();
    int hNumber = 0;
    for (int i = 0; i < mol.getAtomCount(); i++) {
        //			System.out.println("Atom: " + mol.getAtom(i).getSymbol());
        //			System.out.println("  charge: " + mol.getAtom(i).getCharge());
        if (mol.getAtom(i).getSymbol().equals("H")) {
            hNumber++;
            //secondly perform calculation on it.
            DescriptorValue dv = descriptor.calculate(mol.getAtom(i), mol);
            IDescriptorResult result = dv.getValue();
            //				System.out.println("array: " + result.toString());
            Assert.assertNotNull(result);
            Assert.assertEquals(dv.getNames().length, result.length());
        }
    }
}