@Test
public void testAutomatic_Set_Active_Bond() throws Exception {

    /* ionize all possible double bonds */
    IAtomContainer reactant = builder.newInstance(IAtomContainer.class);//miles("C=CC")
    reactant.addAtom(builder.newInstance(IAtom.class, "C"));
    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);
    addExplicitHydrogens(reactant);
    IAtomContainerSet setOfReactants = DefaultChemObjectBuilder.getInstance().newInstance(IAtomContainerSet.class);
    setOfReactants.addAtomContainer(reactant);
    /* initiate */
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(reactant);
    makeSureAtomTypesAreRecognized(reactant);
    IReactionProcess type = new ElectronImpactPDBReaction();
    IReactionSet setOfReactions = type.initiate(setOfReactants, null);
    Assert.assertEquals(2, 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)));
}