Class SharingElectronMechanism
java.lang.Object
org.openscience.cdk.reaction.mechanism.SharingElectronMechanism
- All Implemented Interfaces:
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
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Constructor Summary
Constructors -
Method Summary
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Constructor Details
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SharingElectronMechanism
public SharingElectronMechanism()
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Method Details
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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 interfaceIReactionMechanism
- Parameters:
atomContainerSet
-atomList
- The list of atoms taking part in the mechanism. Only allowed two atomsbondList
- 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
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