chemCast.similarity.data
Class AtomEnvironmentSimilarity
java.lang.Object
DefaultSimilarityProcessor
chemCast.similarity.data.AtomEnvironmentSimilarity
- All Implemented Interfaces:
- ISubsetsModel
public class AtomEnvironmentSimilarity
- extends DefaultSimilarityProcessor
- implements ISubsetsModel
Calculates set of consensus atom environments and calculates Hellinger distance between query compound and consensus a.e.
- Author:
- Nina Jeliazkova nina@acad.bg
Modified Feb 4, 2007
Methods inherited from class java.lang.Object |
equals, getClass, hashCode, notify, notifyAll, wait, wait, wait |
AtomEnvironmentSimilarity
public AtomEnvironmentSimilarity()
getParameter
public java.lang.Object getParameter(java.lang.Object parameter)
setParameter
public void setParameter(java.lang.Object parameter,
java.lang.Object value)
getDatasets
public Subsets getDatasets()
- Specified by:
getDatasets
in interface ISubsetsModel
setDatasets
public void setDatasets(Subsets datasets)
- Specified by:
setDatasets
in interface ISubsetsModel
build
public void build()
throws QSARModelException
- Throws:
QSARModelException
predict
public void predict()
throws QSARModelException
- Throws:
QSARModelException
predict
public double predict(java.lang.Object object1,
java.lang.Object object2)
throws AmbitException
- Throws:
AmbitException
predict
public float predict(IAtomContainersList object1,
int index1,
IAtomContainersList object2,
int index2)
throws AmbitException
- Specified by:
predict
in interface ISubsetsModel
- Throws:
AmbitException
close
public void close()
toString
public java.lang.String toString()
getProperties
public java.lang.String[] getProperties()