ambit2.reactions.retrosynth

Class ReactionSequenceStep

java.lang.Object

ambit2.reactions.retrosynth.ReactionSequenceStep

public class ReactionSequenceStep
extends Object

Constructor Summary

Constructors

Constructor and Description
ReactionSequenceStep()

Method Summary

Modifier and Type	Method and Description
org.openscience.cdk.interfaces.IAtomContainer	getInputMolecule()
List<org.openscience.cdk.interfaces.IAtomContainer>	getOutputMolecules()
GenericReaction	getReaction()
List<org.openscience.cdk.interfaces.IAtom>	getReactionInstance()
ReactionScore	getReactionScore()
void	setInputMolecule(org.openscience.cdk.interfaces.IAtomContainer inputMolecule)
void	setOutputMolecules(List<org.openscience.cdk.interfaces.IAtomContainer> outputMolecules)
void	setReaction(GenericReaction reaction)
void	setReactionInstance(List<org.openscience.cdk.interfaces.IAtom> reactionInstance)
void	setReactionScore(ReactionScore reactionScore)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

ReactionSequenceStep

public ReactionSequenceStep()

Method Detail

getInputMolecule

public org.openscience.cdk.interfaces.IAtomContainer getInputMolecule()

setInputMolecule

public void setInputMolecule(org.openscience.cdk.interfaces.IAtomContainer inputMolecule)

getOutputMolecules

public List<org.openscience.cdk.interfaces.IAtomContainer> getOutputMolecules()

setOutputMolecules

public void setOutputMolecules(List<org.openscience.cdk.interfaces.IAtomContainer> outputMolecules)

getReaction

public GenericReaction getReaction()

setReaction

public void setReaction(GenericReaction reaction)

getReactionInstance

public List<org.openscience.cdk.interfaces.IAtom> getReactionInstance()

setReactionInstance

public void setReactionInstance(List<org.openscience.cdk.interfaces.IAtom> reactionInstance)

getReactionScore

public ReactionScore getReactionScore()

setReactionScore

public void setReactionScore(ReactionScore reactionScore)