@Test
public void testFractionalCSP3Descriptor() throws CDKException {

    SmilesParser sp = new SmilesParser(SilentChemObjectBuilder.getInstance());
    for (SmilesValue e: table) {
        IAtomContainer mol = sp.parseSmiles(e.smiles);
        DoubleResult result = (DoubleResult)descriptor.calculate(mol).getValue();
        Assert.assertEquals(e.value, result.doubleValue(), 0.01);
    }
}