Class RemovingSEofBMechanism

  • All Implemented Interfaces:
    IReactionMechanism

    public class RemovingSEofBMechanism
    extends Object
    implements IReactionMechanism
    This mechanism extracts a single electron from a bonding orbital which located in an bond. It could have single, double as triple order. It returns the reaction mechanism which has been cloned the IAtomContainer with a decrease of the order of the bond and a ISingleElectron more.
    Author:
    miguelrojasch
    Source code:
    main
    Belongs to CDK module:
    reaction
    Created on:
    2008-02-10
    • Constructor Detail

      • RemovingSEofBMechanism

        public RemovingSEofBMechanism()
    • Method Detail

      • initiate

        public IReaction initiate​(IAtomContainerSet atomContainerSet,
                                  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:
        atomContainerSet -
        atomList - The list of atoms taking part in the mechanism. Only allowed two atoms. The first atom receives the charge and the second the single electron
        bondList - 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