ambit2.tautomers.zwitterion

Class CarboxylicGroup

java.lang.Object

ambit2.tautomers.zwitterion.CarboxylicGroup

All Implemented Interfaces:

IAcidicCenter, ICenter

public class CarboxylicGroup
extends Object
implements IAcidicCenter

Nested Class Summary

Nested classes/interfaces inherited from interface ambit2.tautomers.zwitterion.IAcidicCenter

IAcidicCenter.State

Constructor Summary

Constructors

Constructor and Description
CarboxylicGroup()

Method Summary

Modifier and Type	Method and Description
boolean	explicitHAtoms()
static List<CarboxylicGroup>	findAllCenters(org.openscience.cdk.interfaces.IAtomContainer mol)
org.openscience.cdk.interfaces.IAtom[]	getAtoms()
static CarboxylicGroup	getCenter(org.openscience.cdk.interfaces.IAtomContainer mol, org.openscience.cdk.interfaces.IAtom atom)
org.openscience.cdk.interfaces.IAtomContainer	getMolecule()
IAcidicCenter.State	getState()
void	setState(IAcidicCenter.State state)
void	shiftState()

Methods inherited from class java.lang.Object

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

Constructor Detail

CarboxylicGroup

public CarboxylicGroup()

Method Detail

getState

public IAcidicCenter.State getState()

Specified by:

getState in interface IAcidicCenter

setState

public void setState(IAcidicCenter.State state)

Specified by:

setState in interface IAcidicCenter

shiftState

public void shiftState()

Specified by:

shiftState in interface IAcidicCenter

getCenter

public static CarboxylicGroup getCenter(org.openscience.cdk.interfaces.IAtomContainer mol,
                                        org.openscience.cdk.interfaces.IAtom atom)

findAllCenters

public static List<CarboxylicGroup> findAllCenters(org.openscience.cdk.interfaces.IAtomContainer mol)

getAtoms

public org.openscience.cdk.interfaces.IAtom[] getAtoms()

Specified by:

getAtoms in interface ICenter

explicitHAtoms

public boolean explicitHAtoms()

Specified by:

explicitHAtoms in interface ICenter

getMolecule

public org.openscience.cdk.interfaces.IAtomContainer getMolecule()

Specified by:

getMolecule in interface ICenter