@Test
public void testAutomatic_Set_Active_Bond2() throws Exception {

    /* ionize >C=C< , set the reactive center */
    IAtomContainer reactant = builder.newInstance(IAtomContainer.class);//Smiles("C=CCC(=O)CC")
    reactant.addAtom(builder.newInstance(IAtom.class, "C"));
    reactant.addAtom(builder.newInstance(IAtom.class, "C"));
    reactant.addAtom(builder.newInstance(IAtom.class, "C"));
    reactant.addAtom(builder.newInstance(IAtom.class, "C"));
    reactant.addAtom(builder.newInstance(IAtom.class, "O"));
    reactant.addAtom(builder.newInstance(IAtom.class, "C"));
    reactant.addAtom(builder.newInstance(IAtom.class, "C"));
    reactant.addBond(0, 1, IBond.Order.DOUBLE);
    reactant.addBond(1, 2, IBond.Order.SINGLE);
    reactant.addBond(2, 3, IBond.Order.SINGLE);
    reactant.addBond(3, 4, IBond.Order.DOUBLE);
    reactant.addBond(3, 5, IBond.Order.SINGLE);
    reactant.addBond(5, 6, IBond.Order.SINGLE);
    addExplicitHydrogens(reactant);
    IAtomContainerSet setOfReactants = DefaultChemObjectBuilder.getInstance().newInstance(IAtomContainerSet.class);
    setOfReactants.addAtomContainer(reactant);
    /* initiate */
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(reactant);
    makeSureAtomTypesAreRecognized(reactant);
    IReactionProcess type = new ElectronImpactPDBReaction();
    List<IParameterReact> paramList = new ArrayList<IParameterReact>();
    IParameterReact param = new SetReactionCenter();
    param.setParameter(Boolean.FALSE);
    paramList.add(param);
    type.setParameterList(paramList);
    IReactionSet setOfReactions = type.initiate(setOfReactants, null);
    Assert.assertEquals(3, setOfReactions.getReactionCount());
    IAtomContainer molecule = setOfReactions.getReaction(0).getProducts().getAtomContainer(0);
    Assert.assertEquals(1, molecule.getAtom(0).getFormalCharge().intValue());
    Assert.assertEquals(1, molecule.getConnectedSingleElectronsCount(molecule.getAtom(1)));
    molecule = setOfReactions.getReaction(1).getProducts().getAtomContainer(0);
    Assert.assertEquals(1, molecule.getAtom(1).getFormalCharge().intValue());
    Assert.assertEquals(1, molecule.getConnectedSingleElectronsCount(molecule.getAtom(0)));
    Assert.assertEquals(17, setOfReactions.getReaction(0).getMappingCount());
}