RemovingSEofNBMechanism (cdk 2.9 API)

java.lang.Object
- org.openscience.cdk.reaction.mechanism.RemovingSEofNBMechanism

All Implemented Interfaces:

IReactionMechanism
```
public class RemovingSEofNBMechanism
extends Object
implements IReactionMechanism
```
This mechanism extracts a single electron from a non-bonding orbital which located in a ILonePair container. It returns the reaction mechanism which has been cloned the IAtomContainer with an ILonPair electron less and an ISingleElectron more.

Author:

miguelrojasch

Source code:
main

Belongs to CDK module:
reaction

Created on:

2008-02-10

Constructor Summary

Constructors
Constructor Description

RemovingSEofNBMechanism()

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	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
  - RemovingSEofNBMechanism
```
public RemovingSEofNBMechanism()
```
- 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 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 one atom
    
    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