ambit2.groupcontribution.dataset

Class LocalProperties

java.lang.Object

ambit2.groupcontribution.dataset.LocalProperties

public class LocalProperties
extends Object

Nested Class Summary

Nested Classes

Modifier and Type	Class and Description
static class	LocalProperties.Type

Field Summary

Fields

Modifier and Type	Field and Description
Map<Object,double[]>	properties
LocalProperties.Type	type

Constructor Summary

Constructors

Constructor and Description
LocalProperties()

Method Summary

Modifier and Type	Method and Description
static org.openscience.cdk.interfaces.IAtom[]	indicesToAtoms(int[] ind, org.openscience.cdk.interfaces.IAtomContainer mol)
static Object	indicesToChemLocPropObject(int[] ind, org.openscience.cdk.interfaces.IAtomContainer mol, LocalProperties.Type locPropType)
String	toString(org.openscience.cdk.interfaces.IAtomContainer mol)

Methods inherited from class java.lang.Object

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

Field Detail

type

public LocalProperties.Type type

properties

public Map<Object,double[]> properties

Constructor Detail

LocalProperties

public LocalProperties()

Method Detail

toString

public String toString(org.openscience.cdk.interfaces.IAtomContainer mol)

indicesToAtoms

public static org.openscience.cdk.interfaces.IAtom[] indicesToAtoms(int[] ind,
                                                                    org.openscience.cdk.interfaces.IAtomContainer mol)

indicesToChemLocPropObject

public static Object indicesToChemLocPropObject(int[] ind,
                                                org.openscience.cdk.interfaces.IAtomContainer mol,
                                                LocalProperties.Type locPropType)