Uses of Class
ambit2.groupcontribution.dataset.DataSet

Packages that use DataSet

Package	Description
ambit2.groupcontribution
ambit2.groupcontribution.dataset
ambit2.groupcontribution.fragmentation
ambit2.groupcontribution.io

Uses of DataSet in ambit2.groupcontribution

Methods in ambit2.groupcontribution that return DataSet

Modifier and Type	Method and Description
DataSet	Learner.getExternalDataSet()
DataSet	Learner.getTrainDataSet()

Methods in ambit2.groupcontribution with parameters of type DataSet

Modifier and Type	Method and Description
void	Learner.setExternalDataSet(DataSet externalDataSet)
void	Learner.setTrainDataSet(DataSet trainDataSet)

Uses of DataSet in ambit2.groupcontribution.dataset

Methods in ambit2.groupcontribution.dataset that return DataSet

Modifier and Type	Method and Description
static DataSet	DataSet.makeDataSet(List<String> smilesList, List<Double> propertyValues, String propertyName)

Uses of DataSet in ambit2.groupcontribution.fragmentation

Methods in ambit2.groupcontribution.fragmentation with parameters of type DataSet

Modifier and Type	Method and Description
static MatrixDouble	Fragmentation.generateCorrectionFactorMatrix(DataSet dataset, GroupContributionModel gcm)
static MatrixDouble	Fragmentation.generateFragmentationMatrix(DataSet dataset, GroupContributionModel gcm)
static MatrixDouble	Fragmentation.generateMultiplePropertyMatrix(DataSet dataset, List<String> properties)
static MatrixDouble	Fragmentation.generateMultiplePropertyMatrix2(DataSet dataset, List<DescriptorInfo> diList)
static MatrixDouble	Fragmentation.generatePropertyMatrix(DataSet dataset, String property)
static void	Fragmentation.makeFragmentation(DataSet dataset, GroupContributionModel gcm)

Uses of DataSet in ambit2.groupcontribution.io

Methods in ambit2.groupcontribution.io that return DataSet

Modifier and Type	Method and Description
static DataSet	DataSetReader.readFromCfg(String cfgFileName)
static DataSet	DataSetReader.readFromSDF(String sdfFileName)