org.openscience.cdk.reaction.mechanism

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:

master

Belongs to CDK module:

reaction

Created on:

2008-02-10

Constructor Summary

Constructors

Constructor and Description
AdductionLPMechanism()

Method Summary

Modifier and Type	Method and Description
IReaction	initiate(IAtomContainerSet atomContainerSet, ArrayList<IAtom> atomList, ArrayList<IBond> bondList) Initiates the process for the given mechanism.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

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