Uses of Class
ambit2.groupcontribution.dataset.DataSetObject

Packages that use DataSetObject

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

Uses of DataSetObject in ambit2.groupcontribution

Methods in ambit2.groupcontribution with parameters of type DataSetObject

Modifier and Type	Method and Description
double	GroupContributionModel.calcModelValue(DataSetObject dso, boolean missingMolDescrError)

Uses of DataSetObject in ambit2.groupcontribution.dataset

Fields in ambit2.groupcontribution.dataset with type parameters of type DataSetObject

Modifier and Type	Field and Description
List<DataSetObject>	DataSet.dataObjects

Methods in ambit2.groupcontribution.dataset that return DataSetObject

Modifier and Type	Method and Description
DataSetObject	DataSetObjectIterator.next()

Uses of DataSetObject in ambit2.groupcontribution.fragmentation

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

Modifier and Type	Method and Description
static void	Fragmentation.calcAtomFragments(Fragmentation fragmentation, DataSetObject dso, Map<org.openscience.cdk.interfaces.IAtom,int[]> atomLocDescr, GroupContributionModel gcm)
static void	Fragmentation.calcBondFragments(Fragmentation fragmentation, DataSetObject dso, Map<org.openscience.cdk.interfaces.IAtom,int[]> atomLocDescr, GroupContributionModel gcm)
static void	Fragmentation.calcCorrectionFactors(DataSetObject dso, GroupContributionModel gcm)
static void	Fragmentation.calcDGroupFragments(Fragmentation fragmentation, DataSetObject dso, Map<org.openscience.cdk.interfaces.IAtom,int[]> atomLocDescr, GroupContributionModel gcm)
static void	Fragmentation.calcGGroupFragments(Fragmentation fragmentation, DataSetObject dso, Map<org.openscience.cdk.interfaces.IAtom,int[]> atomLocDescr, GroupContributionModel gcm)
static void	Fragmentation.calcLGroupFragments(Fragmentation fragmentation, DataSetObject dso, Map<org.openscience.cdk.interfaces.IAtom,int[]> atomLocDescr, GroupContributionModel gcm)
static void	Fragmentation.calculateLocalDescriptors(DataSetObject dso, GroupContributionModel gcm)
static void	Fragmentation.makeAtomicFragmenation(DataSetObject dso, GroupContributionModel gcm)
static void	Fragmentation.makeBondBasedFragmenation(DataSetObject dso, GroupContributionModel gcm)
static void	Fragmentation.makeCustomGroupFragmenation(DataSetObject dso, GroupContributionModel gcm)
static void	Fragmentation.makeFragmentation(DataSetObject dso, GroupContributionModel gcm)
static void	Fragmentation.makeSecondOrderFragmenation(DataSetObject dso, GroupContributionModel gcm)