chemCast.similarity.data
Class NearestNeighborsSimilaritySubsets<T>
java.lang.Object
chemCast.similarity.data.NearestNeighborsSimilaritySubsets<T>
- All Implemented Interfaces:
- ISubsetsModel
- Direct Known Subclasses:
- NN_MCSSSimilarity, NNAtomEnvironmentSimilaritySubsets, NNFingerprintSimilaritySubsets
public abstract class NearestNeighborsSimilaritySubsets<T>
- extends
- implements ISubsetsModel
Methods inherited from class java.lang.Object |
equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
NearestNeighborsSimilaritySubsets
public NearestNeighborsSimilaritySubsets( distanceFunction,
int knn)
getDatasets
public Subsets getDatasets()
- Specified by:
getDatasets
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
setDatasets
public void setDatasets(Subsets datasets)
- Specified by:
setDatasets
in interface ISubsetsModel
getResultField
public java.lang.String getResultField()
buildInitialize
public void buildInitialize()
throws AmbitException
- Throws:
AmbitException
build
public void build()
throws QSARModelException
- Throws:
QSARModelException
predict
public void predict()
throws QSARModelException
- Throws:
QSARModelException
getProperties
public java.lang.String[] getProperties()
setParameter
public void setParameter(java.lang.Object parameter,
java.lang.Object value)
getParameter
public java.lang.Object getParameter(java.lang.Object parameter)
getPredictedProperty
public java.lang.String getPredictedProperty()
setPredictedProperty
public void setPredictedProperty(java.lang.String predictedProperty)
getClassificationProperty
public java.lang.String getClassificationProperty()
setClassificationProperty
public void setClassificationProperty(java.lang.String classificationProperty)
getAttributeSelection
public getAttributeSelection()
setAttributeSelection
public void setAttributeSelection( attributeSelection)