Package org.openscience.cdk.reaction
Interface IReactionMechanism
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- All Known Implementing Classes:
AdductionLPMechanism
,AdductionPBMechanism
,HeterolyticCleavageMechanism
,HomolyticCleavageMechanism
,RadicalSiteIonizationMechanism
,RadicalSiteRearrangementMechanism
,RearrangementChargeMechanism
,RemovingSEofBMechanism
,RemovingSEofNBMechanism
,SharingElectronMechanism
,TautomerizationMechanism
public interface IReactionMechanism
Classes that implement this interface are reaction mechanisms.- Author:
- Miguel Rojas
- Source code:
- main
- Belongs to CDK module:
- reaction
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Method Summary
All Methods Instance Methods Abstract 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
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.- Parameters:
atomContainerSet
-atomList
- The list of atoms taking part in the mechanismbondList
- The list of bonds taking part in the mechanism- Returns:
- The Reaction mechanism
- Throws:
CDKException
- if an error occurs during the reaction process. See documentation for individual reaction processes
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