ambit2.groupcontribution.correctionfactors

Interface ICorrectionFactor

All Superinterfaces:

IHasValueTransformation

All Known Implementing Classes:

AtomPairCorrectionFactor, DescriptorCorrectionFactor, SmartsCorrectionFactor

public interface ICorrectionFactor
extends IHasValueTransformation

Nested Class Summary

Nested Classes

Modifier and Type	Interface and Description
static class	ICorrectionFactor.Type

Method Summary

Modifier and Type	Method and Description
double	calculateFor(org.openscience.cdk.interfaces.IAtomContainer mol)
double	getContribution()
String	getDesignation()
double	getSD()
ICorrectionFactor.Type	getType()
void	setContribution(double contribution)
void	setSD(double sd)

Methods inherited from interface ambit2.groupcontribution.transformations.IHasValueTransformation

getValueTransformation, setValueTransformation

Method Detail

getContribution

double getContribution()

setContribution

void setContribution(double contribution)

getSD

double getSD()

setSD

void setSD(double sd)

getDesignation

String getDesignation()

calculateFor

double calculateFor(org.openscience.cdk.interfaces.IAtomContainer mol)

getType

ICorrectionFactor.Type getType()