ambit2.tautomers.zwitterion

Class AminoGroup

java.lang.Object

ambit2.tautomers.zwitterion.AminoGroup

All Implemented Interfaces:

IBasicCenter, ICenter

public class AminoGroup
extends Object
implements IBasicCenter

Nested Class Summary

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

IBasicCenter.State

Constructor Summary

Constructors

Constructor and Description
AminoGroup()

Method Summary

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

Methods inherited from class java.lang.Object

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

Constructor Detail

AminoGroup

public AminoGroup()

Method Detail

getState

public IBasicCenter.State getState()

Specified by:

getState in interface IBasicCenter

setState

public void setState(IBasicCenter.State state)

Specified by:

setState in interface IBasicCenter

shiftState

public void shiftState()

Specified by:

shiftState in interface IBasicCenter

getCenter

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

findAllCenters

public static List<AminoGroup> 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