ambit2.reactions

Class GenericReactionInstance

java.lang.Object

ambit2.reactions.GenericReactionInstance

public class GenericReactionInstance
extends Object

Field Summary

Fields

Modifier and Type	Field and Description
boolean[]	applicationConditionsStatus
boolean[]	conditionsStatus
List<org.openscience.cdk.interfaces.IAtom>	instanceAtoms
org.openscience.cdk.interfaces.IAtomContainer	products
GenericReaction	reaction
ReactionScore	reactionScore
org.openscience.cdk.interfaces.IAtomContainer	target

Constructor Summary

Constructors

Constructor and Description
GenericReactionInstance()
GenericReactionInstance(GenericReaction reaction, org.openscience.cdk.interfaces.IAtomContainer target, List<org.openscience.cdk.interfaces.IAtom> instanceAtoms)
GenericReactionInstance(GenericReaction reaction, org.openscience.cdk.interfaces.IAtomContainer target, List<org.openscience.cdk.interfaces.IAtom> instanceAtoms, org.openscience.cdk.interfaces.IAtomContainer products)

Method Summary

Modifier and Type	Method and Description
void	calculateConditionsStatus()
void	generateProducts()
boolean	getApplicationStatus()
double	getConditionsScore()

Methods inherited from class java.lang.Object

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

Field Detail

reaction

public GenericReaction reaction

reactionScore

public ReactionScore reactionScore

instanceAtoms

public List<org.openscience.cdk.interfaces.IAtom> instanceAtoms

target

public org.openscience.cdk.interfaces.IAtomContainer target

products

public org.openscience.cdk.interfaces.IAtomContainer products

conditionsStatus

public boolean[] conditionsStatus

applicationConditionsStatus

public boolean[] applicationConditionsStatus

Constructor Detail

GenericReactionInstance

public GenericReactionInstance()

GenericReactionInstance

public GenericReactionInstance(GenericReaction reaction,
                               org.openscience.cdk.interfaces.IAtomContainer target,
                               List<org.openscience.cdk.interfaces.IAtom> instanceAtoms)

GenericReactionInstance

public GenericReactionInstance(GenericReaction reaction,
                               org.openscience.cdk.interfaces.IAtomContainer target,
                               List<org.openscience.cdk.interfaces.IAtom> instanceAtoms,
                               org.openscience.cdk.interfaces.IAtomContainer products)

Method Detail

generateProducts

public void generateProducts()

calculateConditionsStatus

public void calculateConditionsStatus()

getConditionsScore

public double getConditionsScore()

getApplicationStatus

public boolean getApplicationStatus()