ambit2.groupcontribution

Class Learner

java.lang.Object

ambit2.groupcontribution.Learner

public class Learner
extends Object

Author:

nick1 This class is responsible for: 1) the creation of statistical model based on the information in GroupContributionModel class. 2) Statistical validation of the model

Constructor Summary

Constructors

Constructor and Description
Learner()

Method Summary

Modifier and Type	Method and Description
String	getAllErrorsAsString()
List<String>	getErrors()
DataSet	getExternalDataSet()
String	getMatricesAsString(String separator, boolean mergeMatrices, boolean groupCountMatrix, boolean correctionFactorsMatrix, boolean externalDescriptorMatrix, boolean targetPropertyMatrix)
int	getMatrixDecDig()
int	getMatrixDig()
GroupContributionModel	getModel()
DataSet	getTrainDataSet()
void	initVariables()
void	performCrossValidation(CrossValidation cv)
void	performExternalValidation()
int	performFragmentationOnly()
void	performLOOValidation()
void	performSelfTest(ValidationConfig validation)
void	performYScrambling(int numIterations)
void	reset()
void	setExternalDataSet(DataSet externalDataSet)
void	setMatrixDecDig(int matrixDecDig)
void	setMatrixDig(int matrixDig)
void	setModel(GroupContributionModel model)
void	setTrainDataSet(DataSet trainDataSet)
int	train()
void	validate()

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

Learner

public Learner()

Method Detail

reset

public void reset()

getErrors

public List<String> getErrors()

getAllErrorsAsString

public String getAllErrorsAsString()

getModel

public GroupContributionModel getModel()

setModel

public void setModel(GroupContributionModel model)

getTrainDataSet

public DataSet getTrainDataSet()

setTrainDataSet

public void setTrainDataSet(DataSet trainDataSet)

getExternalDataSet

public DataSet getExternalDataSet()

setExternalDataSet

public void setExternalDataSet(DataSet externalDataSet)

getMatrixDig

public int getMatrixDig()

setMatrixDig

public void setMatrixDig(int matrixDig)

getMatrixDecDig

public int getMatrixDecDig()

setMatrixDecDig

public void setMatrixDecDig(int matrixDecDig)

train

public int train()

performFragmentationOnly

public int performFragmentationOnly()

initVariables

public void initVariables()

validate

public void validate()

performSelfTest

public void performSelfTest(ValidationConfig validation)

performYScrambling

public void performYScrambling(int numIterations)

performLOOValidation

public void performLOOValidation()

performCrossValidation

public void performCrossValidation(CrossValidation cv)

performExternalValidation

public void performExternalValidation()

getMatricesAsString

public String getMatricesAsString(String separator,
                                  boolean mergeMatrices,
                                  boolean groupCountMatrix,
                                  boolean correctionFactorsMatrix,
                                  boolean externalDescriptorMatrix,
                                  boolean targetPropertyMatrix)