FractionalCSP3Descriptor extends AbstractMolecularDescriptor implements IMolecularDescriptor { public FractionalCSP3Descriptor() { } FractionalCSP3Descriptor(); @Override DescriptorSpecification getSpecification(); @Override String[] getParameterNames(); @Override Object getParameterType(String name); @Override void setParameters(Object[] params); @Override Object[] getParameters(); @Override DescriptorValue calculate(IAtomContainer mol); @Override IDescriptorResult getDescriptorResultType(); @Override String[] getDescriptorNames();  }
@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); } }