public class MolMapping
extends java.lang.Object
implements java.io.Serializable
Constructor and Description |
---|
MolMapping(java.lang.String mol1,
java.lang.String mol2,
java.lang.Integer indexI,
java.lang.Integer indexJ) |
Modifier and Type | Method and Description |
---|---|
boolean |
equals(java.lang.Object obj) |
java.lang.Integer |
getIndexI() |
java.lang.Integer |
getIndexJ() |
java.lang.Integer |
getIndexStep() |
org.openscience.cdk.interfaces.IAtomContainer |
getMatchedMol() |
java.lang.String |
getMatchedSMILES() |
java.lang.String |
getQuery() |
java.lang.String |
getTarget() |
int |
hashCode() |
boolean |
isKeggMapping() |
boolean |
isrBLASTMapping() |
void |
setKeggMapping(boolean keggMapping) |
void |
setMatchedMol(org.openscience.cdk.interfaces.IAtomContainer matchedMol) |
void |
setMatchedSMILES(java.lang.String matchedSMILES,
java.lang.Integer step) |
void |
setReactionMapping(boolean rBLASTMapping) |
java.lang.String |
toString() |
public MolMapping(java.lang.String mol1, java.lang.String mol2, java.lang.Integer indexI, java.lang.Integer indexJ)
mol1
- mol2
- indexI
- indexJ
- public java.lang.String getQuery()
public java.lang.String getTarget()
public boolean isKeggMapping()
public void setKeggMapping(boolean keggMapping)
keggMapping
- the keggMapping to setpublic boolean isrBLASTMapping()
public void setReactionMapping(boolean rBLASTMapping)
rBLASTMapping
- the rBLASTMapping to setpublic java.lang.Integer getIndexI()
public java.lang.Integer getIndexJ()
public org.openscience.cdk.interfaces.IAtomContainer getMatchedMol()
public void setMatchedMol(org.openscience.cdk.interfaces.IAtomContainer matchedMol)
matchedMol
- the matchedMol to setpublic java.lang.String getMatchedSMILES()
public void setMatchedSMILES(java.lang.String matchedSMILES, java.lang.Integer step)
matchedSMILES
- the matchedSMILES to setstep
- index for the mapping processpublic java.lang.Integer getIndexStep()
public boolean equals(java.lang.Object obj)
equals
in class java.lang.Object
public int hashCode()
hashCode
in class java.lang.Object
public java.lang.String toString()
toString
in class java.lang.Object