@Test
public void testGravitationalIndex() throws ClassNotFoundException, CDKException, java.lang.Exception {

    String filename = "data/hin/gravindex.hin";
    InputStream ins = this.getClass().getClassLoader().getResourceAsStream(filename);
    ISimpleChemObjectReader reader = new HINReader(ins);
    ChemFile content = (ChemFile) reader.read((ChemObject) new ChemFile());
    List cList = ChemFileManipulator.getAllAtomContainers(content);
    IAtomContainer ac = (IAtomContainer) cList.get(0);
    DoubleArrayResult retval = (DoubleArrayResult) descriptor.calculate(ac).getValue();
    Assert.assertEquals(1756.5060703860984, retval.get(0), 0.00000001);
    Assert.assertEquals(41.91069159994975, retval.get(1), 0.00000001);
    Assert.assertEquals(12.06562671430088, retval.get(2), 0.00000001);
    Assert.assertEquals(1976.6432599699767, retval.get(3), 0.00000001);
    Assert.assertEquals(44.45945636161082, retval.get(4), 0.00000001);
    Assert.assertEquals(12.549972243701887, retval.get(5), 0.00000001);
    Assert.assertEquals(4333.097373073368, retval.get(6), 0.00000001);
    Assert.assertEquals(65.82626658920714, retval.get(7), 0.00000001);
    Assert.assertEquals(16.302948232909483, retval.get(8), 0.00000001);
}