public class MCSSolution
extends java.lang.Object
implements java.io.Serializable
Constructor and Description |
---|
MCSSolution(int queryPosition,
int targetPosition,
org.openscience.cdk.interfaces.IAtomContainer queryContainer,
org.openscience.cdk.interfaces.IAtomContainer targetContainer,
AtomAtomMapping aam) |
Modifier and Type | Method and Description |
---|---|
AtomAtomMapping |
getAtomAtomMapping() |
java.lang.Double |
getEnergy() |
java.lang.Integer |
getFragmentSize() |
org.openscience.cdk.interfaces.IAtomContainer |
getQueryContainer() |
int |
getQueryPosition() |
java.lang.Integer |
getStereoScore() |
org.openscience.cdk.interfaces.IAtomContainer |
getTargetContainer() |
int |
getTargetPosition() |
void |
setEnergy(java.lang.Double energy) |
void |
setFragmentSize(java.lang.Integer fragmentSize) |
void |
setStereoScore(java.lang.Integer stereoScore) |
public MCSSolution(int queryPosition, int targetPosition, org.openscience.cdk.interfaces.IAtomContainer queryContainer, org.openscience.cdk.interfaces.IAtomContainer targetContainer, AtomAtomMapping aam)
queryPosition
- targetPosition
- queryContainer
- targetContainer
- aam
- public java.lang.Integer getStereoScore()
public void setStereoScore(java.lang.Integer stereoScore)
stereoScore
- the stereoScore to setpublic java.lang.Integer getFragmentSize()
public void setFragmentSize(java.lang.Integer fragmentSize)
fragmentSize
- the fragmentSize to setpublic java.lang.Double getEnergy()
public void setEnergy(java.lang.Double energy)
energy
- the energy to setpublic org.openscience.cdk.interfaces.IAtomContainer getQueryContainer()
public org.openscience.cdk.interfaces.IAtomContainer getTargetContainer()
public AtomAtomMapping getAtomAtomMapping()
public int getTargetPosition()
public int getQueryPosition()