ambit2.reactions.retrosynth

Class ReactionSequenceLevel

java.lang.Object

ambit2.reactions.retrosynth.ReactionSequenceLevel

public class ReactionSequenceLevel
extends Object

Field Summary

Fields

Modifier and Type	Field and Description
int	levelIndex
List<org.openscience.cdk.interfaces.IAtomContainer>	molecules
ReactionSequenceLevel	nextLevel
ReactionSequenceLevel	previousLevel
List<org.openscience.cdk.interfaces.IAtomContainer>	prevLevelMolecules
List<ReactionSequenceStep>	steps

Constructor Summary

Constructors

Constructor and Description
ReactionSequenceLevel()

Method Summary

Modifier and Type	Method and Description
void	addMolecule(org.openscience.cdk.interfaces.IAtomContainer mol, ReactionSequenceStep step, org.openscience.cdk.interfaces.IAtomContainer prevLevelMol)
void	associateStep(int index, ReactionSequenceStep step)
Object[]	getGenerationInfo(int molIndex)
void	getNextLevel()
void	linkStepToNextLevel(ReactionSequenceStep step)
void	removeMolecule(org.openscience.cdk.interfaces.IAtomContainer mol, boolean updateUpperLevel)
void	removeStep(int index)
String	toString()

Methods inherited from class java.lang.Object

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

Field Detail

levelIndex

public int levelIndex

previousLevel

public ReactionSequenceLevel previousLevel

nextLevel

public ReactionSequenceLevel nextLevel

steps

public List<ReactionSequenceStep> steps

molecules

public List<org.openscience.cdk.interfaces.IAtomContainer> molecules

prevLevelMolecules

public List<org.openscience.cdk.interfaces.IAtomContainer> prevLevelMolecules

Constructor Detail

ReactionSequenceLevel

public ReactionSequenceLevel()

Method Detail

addMolecule

public void addMolecule(org.openscience.cdk.interfaces.IAtomContainer mol,
                        ReactionSequenceStep step,
                        org.openscience.cdk.interfaces.IAtomContainer prevLevelMol)

associateStep

public void associateStep(int index,
                          ReactionSequenceStep step)

linkStepToNextLevel

public void linkStepToNextLevel(ReactionSequenceStep step)

removeMolecule

public void removeMolecule(org.openscience.cdk.interfaces.IAtomContainer mol,
                           boolean updateUpperLevel)

removeStep

public void removeStep(int index)

getNextLevel

public void getNextLevel()

getGenerationInfo

public Object[] getGenerationInfo(int molIndex)

toString

public String toString()

Overrides:

toString in class Object