IsProtonInConjugatedPiSystemDescriptor extends AbstractAtomicDescriptor implements IAtomicDescriptor { public IsProtonInConjugatedPiSystemDescriptor() {} IsProtonInConjugatedPiSystemDescriptor(); @Override DescriptorSpecification getSpecification(); @Override void setParameters(Object[] params); @Override Object[] getParameters(); @Override String[] getDescriptorNames(); @Override DescriptorValue calculate(IAtom atom, IAtomContainer atomContainer); @Override String[] getParameterNames(); @Override Object getParameterType(String name);  }
@Test public void testIsProtonInConjugatedPiSystemDescriptor() throws ClassNotFoundException, CDKException, java.lang.Exception { IAtomicDescriptor descriptor = new IsProtonInConjugatedPiSystemDescriptor(); Object[] params = {new Boolean(true)}; descriptor.setParameters(params); SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance()); IAtomContainer mol = sp.parseSmiles("CNC=CC=C"); addExplicitHydrogens(mol); Assert.assertTrue(((BooleanResult) descriptor.calculate(mol.getAtom(13), mol).getValue()).booleanValue()); }