chemCast.similarity.data
Class FingerprintSimilaritySubsets

java.lang.Object
  extended by FingerprintSimilarity
      extended by chemCast.similarity.data.FingerprintSimilaritySubsets
All Implemented Interfaces:
ISubsetsModel

public class FingerprintSimilaritySubsets
extends FingerprintSimilarity
implements ISubsetsModel


Constructor Summary
FingerprintSimilaritySubsets()
           
 
Method Summary
 void build()
           
 Subsets getDatasets()
           
 void predict()
           
 float predict(IAtomContainersList object1, int index1, IAtomContainersList object2, int index2)
           
 void setDatasets(Subsets datasets)
           
 
Methods inherited from class java.lang.Object
equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Constructor Detail

FingerprintSimilaritySubsets

public FingerprintSimilaritySubsets()
Method Detail

getDatasets

public Subsets getDatasets()
Specified by:
getDatasets in interface ISubsetsModel

setDatasets

public void setDatasets(Subsets datasets)
Specified by:
setDatasets in interface ISubsetsModel

predict

public float predict(IAtomContainersList object1,
                     int index1,
                     IAtomContainersList object2,
                     int index2)
              throws AmbitException
Specified by:
predict in interface ISubsetsModel
Throws:
AmbitException

build

public void build()
           throws QSARModelException
Throws:
QSARModelException

predict

public void predict()
             throws QSARModelException
Throws:
QSARModelException