@Test
public void testMomentOfInertia1() 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(1820.692519, retval.get(0), 0.00001);
    Assert.assertEquals(1274.532522, retval.get(1), 0.00001);
    Assert.assertEquals(979.210423, retval.get(2), 0.00001);
    Assert.assertEquals(1.428517, retval.get(3), 0.00001);
    Assert.assertEquals(1.859347, retval.get(4), 0.00001);
    Assert.assertEquals(1.301592, retval.get(5), 0.00001);
    Assert.assertEquals(5.411195, retval.get(6), 0.00001);
}