Class HeterolyticCleavageMechanism
- java.lang.Object
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- org.openscience.cdk.reaction.mechanism.HeterolyticCleavageMechanism
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- All Implemented Interfaces:
IReactionMechanism
public class HeterolyticCleavageMechanism extends Object implements IReactionMechanism
This mechanism displaces the chemical bond to an Atom. Generating one with excess charge and the other with deficiency. 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
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Constructor Summary
Constructors Constructor Description HeterolyticCleavageMechanism()
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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.
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Method Detail
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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 atoms. The first atom receives the positive charge charge and the second negative chargebondList
- 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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