HBondAcceptorCountDescriptor extends AbstractMolecularDescriptor implements IMolecularDescriptor { public HBondAcceptorCountDescriptor() {} HBondAcceptorCountDescriptor(); @Override DescriptorSpecification getSpecification(); @Override void setParameters(Object[] params); @Override Object[] getParameters(); @Override String[] getDescriptorNames(); @Override DescriptorValue calculate(IAtomContainer atomContainer); @Override IDescriptorResult getDescriptorResultType(); @Override String[] getParameterNames(); @Override Object getParameterType(String name);  }
@Test public void testHBondAcceptorCountDescriptor() throws ClassNotFoundException, CDKException, java.lang.Exception { Object[] params = {new Boolean(true)}; descriptor.setParameters(params); SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance()); IAtomContainer mol = sp.parseSmiles("O=N(=O)C1=C2NN=CC2=CC=C1"); Assert.assertEquals(1, ((IntegerResult) descriptor.calculate(mol).getValue()).intValue()); }