Class AdductionLPMechanism

java.lang.Object
org.openscience.cdk.reaction.mechanism.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 Details

    • AdductionLPMechanism

      public AdductionLPMechanism()
  • Method Details

    • 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