ambit2.core.groups

Class ComponentGroup

java.lang.Object

org.openscience.cdk.ChemObject

org.openscience.cdk.Element

org.openscience.cdk.Isotope

org.openscience.cdk.AtomType

org.openscience.cdk.Atom

org.openscience.cdk.PseudoAtom

ambit2.core.groups.AbstractGroup

ambit2.core.groups.ComponentGroup

All Implemented Interfaces:

ISGroup, Serializable, Cloneable, Comparable<ISGroup>, org.openscience.cdk.interfaces.IAtom, org.openscience.cdk.interfaces.IAtomType, org.openscience.cdk.interfaces.ICDKObject, org.openscience.cdk.interfaces.IChemObject, org.openscience.cdk.interfaces.IElement, org.openscience.cdk.interfaces.IIsotope, org.openscience.cdk.interfaces.IPseudoAtom

public class ComponentGroup
extends AbstractGroup

See Also:

Serialized Form

Nested Class Summary

Nested classes/interfaces inherited from class ambit2.core.groups.AbstractGroup

AbstractGroup.EmptyIterator<T>, AbstractGroup.SelfIterable<T>

Nested classes/interfaces inherited from interface org.openscience.cdk.interfaces.IAtomType

org.openscience.cdk.interfaces.IAtomType.Hybridization

Field Summary

Fields

Modifier and Type	Field and Description
protected static String	mainsubscript
protected Integer	order

Fields inherited from class ambit2.core.groups.AbstractGroup

atoms, bonds, number

Fields inherited from class org.openscience.cdk.Atom

charge, fractionalPoint3d, hydrogenCount, point2d, point3d, stereoParity

Fields inherited from class org.openscience.cdk.AtomType

electronValency, formalCharge, formalNeighbourCount, hybridization

Fields inherited from class org.openscience.cdk.Isotope

exactMass, naturalAbundance

Fields inherited from class org.openscience.cdk.Element

atomicNumber, symbol

Fields inherited from interface ambit2.core.groups.ISGroup

SGROUP_CONNECTIVITY, SGROUP_VISIBLE

Constructor Summary

Constructors

Constructor and Description
ComponentGroup(String label, int number)

Method Summary

Modifier and Type	Method and Description
void	finalizeAtomList(org.openscience.cdk.interfaces.IAtomContainer mol) does nothing
Integer	getOrder()
void	setOrder(Integer order)

Methods inherited from class ambit2.core.groups.AbstractGroup

addAtom, addBond, addBondsConnected2Atoms, addBrackets, compareTo, equals, getAtoms, getBonds, getNumber, getSubscript, isExpanded, isGroupVisible, setGroupVisible, setNumber, setSubscript

Methods inherited from class org.openscience.cdk.PseudoAtom

clone, getAttachPointNum, getLabel, setAttachPointNum, setLabel, setStereoParity, toString

Methods inherited from class org.openscience.cdk.Atom

bonds, compare, getBondCount, getCharge, getContainer, getFractionalPoint3d, getImplicitHydrogenCount, getIndex, getPoint2d, getPoint3d, getStereoParity, hashCode, isAromatic, isInRing, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setIsAromatic, setIsInRing, setPoint2d, setPoint3d

Methods inherited from class org.openscience.cdk.AtomType

getAtomTypeName, getBondOrderSum, getCovalentRadius, getFormalCharge, getFormalNeighbourCount, getHybridization, getMaxBondOrder, getValency, setAtomTypeName, setBondOrderSum, setCovalentRadius, setFormalCharge, setFormalNeighbourCount, setHybridization, setMaxBondOrder, setValency

Methods inherited from class org.openscience.cdk.Isotope

getExactMass, getMassNumber, getNaturalAbundance, setExactMass, setMassNumber, setNaturalAbundance

Methods inherited from class org.openscience.cdk.Element

getAtomicNumber, getSymbol, setAtomicNumber, setSymbol

Methods inherited from class org.openscience.cdk.ChemObject

addListener, addProperties, getBuilder, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, shallowCopy

Methods inherited from class java.lang.Object

finalize, getClass, notify, notifyAll, wait, wait, wait

Methods inherited from interface org.openscience.cdk.interfaces.IAtom

bonds, clone, getBondCount, getCharge, getContainer, getFractionalPoint3d, getImplicitHydrogenCount, getIndex, getPoint2d, getPoint3d, getStereoParity, isAromatic, isInRing, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setIsAromatic, setIsInRing, setPoint2d, setPoint3d, setStereoParity

Methods inherited from interface org.openscience.cdk.interfaces.IAtomType

getAtomTypeName, getBondOrderSum, getCovalentRadius, getFormalCharge, getFormalNeighbourCount, getHybridization, getMaxBondOrder, getValency, setAtomTypeName, setBondOrderSum, setCovalentRadius, setFormalCharge, setFormalNeighbourCount, setHybridization, setMaxBondOrder, setValency

Methods inherited from interface org.openscience.cdk.interfaces.IIsotope

getExactMass, getMassNumber, getNaturalAbundance, setExactMass, setMassNumber, setNaturalAbundance

Methods inherited from interface org.openscience.cdk.interfaces.IElement

getAtomicNumber, getSymbol, setAtomicNumber, setSymbol

Methods inherited from interface org.openscience.cdk.interfaces.IChemObject

addListener, addProperties, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, toString

Methods inherited from interface org.openscience.cdk.interfaces.ICDKObject

getBuilder

Field Detail

order

protected Integer order

mainsubscript

protected static final String mainsubscript

See Also:

Constant Field Values

Constructor Detail

ComponentGroup

public ComponentGroup(String label,
                      int number)

Method Detail

finalizeAtomList

public void finalizeAtomList(org.openscience.cdk.interfaces.IAtomContainer mol)

Description copied from class: AbstractGroup

does nothing

Specified by:

finalizeAtomList in interface ISGroup

Overrides:

finalizeAtomList in class AbstractGroup

getOrder

public Integer getOrder()

setOrder

public void setOrder(Integer order)