Class AdductionLPMechanism

  • All Implemented Interfaces:
    IReactionMechanism

    public class AdductionLPMechanism
    extends Object
    implements IReactionMechanism

    This mechanism adduct together two fragments. The second fragment will be deficient in charge. It returns the reaction mechanism which has been cloned the IAtomContainer.

    This reaction could be represented as A + [B+] => A-B

    Author:
    miguelrojasch
    Source code:
    main
    Belongs to CDK module:
    reaction
    Created on:
    2008-02-10
    • Constructor Detail

      • AdductionLPMechanism

        public AdductionLPMechanism()
    • 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 and bonds 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.
        bondList - The list of bonds taking part in the mechanism. not allowed bonds.
        Returns:
        The Reaction mechanism
        Throws:
        CDKException - if an error occurs during the reaction process. See documentation for individual reaction processes