public class MappingSolution
extends java.lang.Object
implements java.io.Serializable
Constructor and Description |
---|
MappingSolution(BondChangeCalculator bondChangeCalculator,
IMappingAlgorithm ma,
org.openscience.cdk.interfaces.IReaction reaction,
Reactor reactor,
double bondEnergyChange,
int totalCarbonBondChanges,
int totalBondChanges,
int totalFragmentChanges,
int totalStereoChanges,
int smallestFragmentCount,
int localScore,
double energyDelta) |
Modifier and Type | Method and Description |
---|---|
IMappingAlgorithm |
getAlgorithmID() |
BondChangeCalculator |
getBondChangeCalculator() |
double |
getBondEnergySum() |
double |
getEnergyDelta() |
org.openscience.cdk.interfaces.IReaction |
getReaction() |
Reactor |
getReactor() |
int |
getSmallestFragmentCount() |
int |
getTotalBondChanges() |
int |
getTotalCarbonBondChanges() |
int |
getTotalChanges() |
int |
getTotalFragmentChanges() |
int |
getTotalStereoChanges() |
boolean |
isChosen() |
java.lang.String |
toString() |
public MappingSolution(BondChangeCalculator bondChangeCalculator, IMappingAlgorithm ma, org.openscience.cdk.interfaces.IReaction reaction, Reactor reactor, double bondEnergyChange, int totalCarbonBondChanges, int totalBondChanges, int totalFragmentChanges, int totalStereoChanges, int smallestFragmentCount, int localScore, double energyDelta)
bondChangeCalculator
- ma
- reactor
- localScore
- bondEnergyChange
- totalCarbonBondChanges
- totalBondChanges
- totalFragmentChanges
- totalStereoChanges
- smallestFragmentCount
- reaction
- energyDelta
- public java.lang.String toString()
toString
in class java.lang.Object
public IMappingAlgorithm getAlgorithmID()
public double getBondEnergySum()
public int getTotalBondChanges()
public int getTotalFragmentChanges()
public int getTotalStereoChanges()
public int getSmallestFragmentCount()
public org.openscience.cdk.interfaces.IReaction getReaction()
public Reactor getReactor()
public int getTotalChanges()
public boolean isChosen()
public BondChangeCalculator getBondChangeCalculator()
public int getTotalCarbonBondChanges()
public double getEnergyDelta()