Class AdductionPBMechanism

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

public class AdductionPBMechanism extends Object implements IReactionMechanism

This mechanism adduct together two fragments due to a double bond. 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 + [C+] => [A+]-B-C

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

    • AdductionPBMechanism

      public AdductionPBMechanism()
  • 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 three 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