initiate
@TestMethod(value="testInitiate_IMoleculeSet_ArrayList_ArrayList")
public IReaction initiate(IMoleculeSet moleculeSet,
ArrayList<IAtom> atomList,
ArrayList<IBond> bondList)
throws CDKException
Initiates the process for the given mechanism. The atoms to apply are mapped between
reactants and products.
- Specified by:
initiate
in interface IReactionMechanism
- Parameters:
moleculeSet
- The IMolecule to apply the mechanismatomList
- The list of atoms taking part in the mechanism. Only allowed two atoms.
Both atoms acquire a ISingleElectronbondList
- The list of bonds taking part in the mechanism. Only allowed one bond
- Returns:
- The Reaction mechanism
- Throws:
CDKException
- if an error occurs during the reaction process.
See documentation for individual reaction processes