Class HomolyticCleavageMechanism

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

public class HomolyticCleavageMechanism extends Object implements IReactionMechanism
This mechanism breaks the chemical bond between atoms. Generating two atoms with attached radicals. It returns the reaction mechanism which has been cloned the IAtomContainer.
Author:
miguelrojasch
Source code:
main
Belongs to CDK module:
reaction
Created on:
2008-02-10
  • Constructor Details

    • HomolyticCleavageMechanism

      public HomolyticCleavageMechanism()
  • 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. Both atoms acquire a ISingleElectron
      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