Class HomolyticCleavageMechanism
- java.lang.Object
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- org.openscience.cdk.reaction.mechanism.HomolyticCleavageMechanism
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- All Implemented Interfaces:
IReactionMechanism
public class HomolyticCleavageMechanism extends Object implements IReactionMechanism
This mechanism breaks the chemical bond between atoms. Generating two atoms with attached radicals. It returns the reaction mechanism which has been cloned theIAtomContainer
.- Author:
- miguelrojasch
- Source code:
- main
- Belongs to CDK module:
- reaction
- Created on:
- 2008-02-10
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Constructor Summary
Constructors Constructor Description HomolyticCleavageMechanism()
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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. Both atoms acquire a ISingleElectronbondList
- 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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