Class SharingElectronMechanism

java.lang.Object
org.openscience.cdk.reaction.mechanism.SharingElectronMechanism
All Implemented Interfaces:
IReactionMechanism

public class SharingElectronMechanism extends Object implements IReactionMechanism

This mechanism displaces the charge (lonePair) because of deficiency of 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

    • SharingElectronMechanism

      public SharingElectronMechanism()
  • 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 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. Only allowed one bond
      Returns:
      The Reaction mechanism
      Throws:
      CDKException - if an error occurs during the reaction process. See documentation for individual reaction processes