ambit2.groupcontribution.descriptors

Class LDAtomValency

java.lang.Object

ambit2.groupcontribution.descriptors.LDAtomValency

All Implemented Interfaces:

ILocalDescriptor

public class LDAtomValency
extends Object
implements ILocalDescriptor

Nested Class Summary

Nested classes/interfaces inherited from interface ambit2.groupcontribution.descriptors.ILocalDescriptor

ILocalDescriptor.Type

Constructor Summary

Constructors

Constructor and Description
LDAtomValency()

Method Summary

Modifier and Type	Method and Description
int	calcForAtom(org.openscience.cdk.interfaces.IAtom atom, org.openscience.cdk.interfaces.IAtomContainer mol)
Double	calcForAtoms(org.openscience.cdk.interfaces.IAtom[] atoms, org.openscience.cdk.interfaces.IAtomContainer mol)
String	getDesignation(int value)
String	getInfo()
String	getName()
String	getShortName()
ILocalDescriptor.Type	getType()
boolean	isUsed()
void	setIsUsed(boolean used)

Methods inherited from class java.lang.Object

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

Constructor Detail

LDAtomValency

public LDAtomValency()

Method Detail

calcForAtom

public int calcForAtom(org.openscience.cdk.interfaces.IAtom atom,
                       org.openscience.cdk.interfaces.IAtomContainer mol)

Specified by:

calcForAtom in interface ILocalDescriptor

calcForAtoms

public Double calcForAtoms(org.openscience.cdk.interfaces.IAtom[] atoms,
                           org.openscience.cdk.interfaces.IAtomContainer mol)

Specified by:

calcForAtoms in interface ILocalDescriptor

getDesignation

public String getDesignation(int value)

Specified by:

getDesignation in interface ILocalDescriptor

getShortName

public String getShortName()

Specified by:

getShortName in interface ILocalDescriptor

getName

public String getName()

Specified by:

getName in interface ILocalDescriptor

getInfo

public String getInfo()

Specified by:

getInfo in interface ILocalDescriptor

getType

public ILocalDescriptor.Type getType()

Specified by:

getType in interface ILocalDescriptor

isUsed

public boolean isUsed()

Specified by:

isUsed in interface ILocalDescriptor

setIsUsed

public void setIsUsed(boolean used)

Specified by:

setIsUsed in interface ILocalDescriptor