org.openscience.cdk

Class Ring

java.lang.Object

org.openscience.cdk.ChemObject

org.openscience.cdk.AtomContainer

org.openscience.cdk.Ring

All Implemented Interfaces:

Serializable, Cloneable, IAtomContainer, ICDKObject, IChemObject, IChemObjectListener, IRing

Direct Known Subclasses:

DebugRing

public class Ring
extends AtomContainer
implements Serializable, IRing

Class representing a ring structure in a molecule. A ring is a linear sequence of N atoms interconnected to each other by covalent bonds, such that atom i (1 < i < N) is bonded to atom i-1 and atom i + 1 and atom 1 is bonded to atom N and atom 2.

See Also:

Serialized Form

Source code:

master

Belongs to CDK module:

data

Keywords:

ring

Field Summary

Fields inherited from class org.openscience.cdk.AtomContainer

atomCount, atoms, bondCount, bonds, growArraySize, lonePairCount, lonePairs, singleElectronCount, singleElectrons, stereoElements

Constructor Summary

Constructors

Constructor and Description
Ring() Constructs an empty ring.
Ring(IAtomContainer atomContainer) Constructs a ring from the atoms in an IAtomContainer object.
Ring(int ringSize) Constructs an empty ring that will have a certain size.
Ring(int ringSize, String elementSymbol) Constructs a ring that will have a certain number of atoms of the given elements.

Method Summary

Methods

Modifier and Type	Method and Description
IRing	clone() Clones this AtomContainer object and its content.
int	getBondOrderSum() Returns the sum of all bond orders in the ring.
IBond	getNextBond(IBond bond, IAtom atom) Returns the next bond in order, relative to a given bond and atom.
int	getRingSize() Returns the number of atoms\edges in this ring.
String	toString() Returns a one line string representation of this Container.

Methods inherited from class org.openscience.cdk.AtomContainer

add, addAtom, addBond, addBond, addBond, addElectronContainer, addLonePair, addLonePair, addSingleElectron, addSingleElectron, addStereoElement, atoms, bonds, contains, contains, contains, contains, contains, electronContainers, getAtom, getAtomCount, getAtomNumber, getBond, getBond, getBondCount, getBondNumber, getBondNumber, getBondOrderSum, getConnectedAtomsCount, getConnectedAtomsList, getConnectedBondsCount, getConnectedBondsCount, getConnectedBondsList, getConnectedElectronContainersList, getConnectedLonePairsCount, getConnectedLonePairsList, getConnectedSingleElectronsCount, getConnectedSingleElectronsList, getElectronContainer, getElectronContainerCount, getFirstAtom, getLastAtom, getLonePair, getLonePairCount, getLonePairNumber, getMaximumBondOrder, getMinimumBondOrder, getSingleElectron, getSingleElectronCount, getSingleElectronNumber, indexOf, indexOf, indexOf, indexOf, isEmpty, lonePairs, remove, removeAllBonds, removeAllElectronContainers, removeAllElements, removeAtom, removeAtom, removeAtomAndConnectedElectronContainers, removeBond, removeBond, removeBond, removeElectronContainer, removeElectronContainer, removeLonePair, removeLonePair, removeSingleElectron, removeSingleElectron, setAtom, setAtoms, setBonds, setStereoElements, singleElectrons, stateChanged, stereoElements

Methods inherited from class org.openscience.cdk.ChemObject

addListener, addProperties, compare, 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

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

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

add, addAtom, addBond, addBond, addBond, addElectronContainer, addLonePair, addLonePair, addSingleElectron, addSingleElectron, addStereoElement, atoms, bonds, contains, contains, contains, contains, contains, electronContainers, getAtom, getAtomCount, getAtomNumber, getBond, getBond, getBondCount, getBondNumber, getBondNumber, getBondOrderSum, getConnectedAtomsCount, getConnectedAtomsList, getConnectedBondsCount, getConnectedBondsCount, getConnectedBondsList, getConnectedElectronContainersList, getConnectedLonePairsCount, getConnectedLonePairsList, getConnectedSingleElectronsCount, getConnectedSingleElectronsList, getElectronContainer, getElectronContainerCount, getFirstAtom, getLastAtom, getLonePair, getLonePairCount, getLonePairNumber, getMaximumBondOrder, getMinimumBondOrder, getSingleElectron, getSingleElectronCount, getSingleElectronNumber, indexOf, indexOf, indexOf, indexOf, isEmpty, lonePairs, remove, removeAllBonds, removeAllElectronContainers, removeAllElements, removeAtom, removeAtom, removeAtomAndConnectedElectronContainers, removeBond, removeBond, removeBond, removeElectronContainer, removeElectronContainer, removeLonePair, removeLonePair, removeSingleElectron, removeSingleElectron, setAtom, setAtoms, setBonds, setStereoElements, singleElectrons, stereoElements

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

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

getBuilder

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

stateChanged

Constructor Detail

Ring

public Ring()

Constructs an empty ring.

Ring

public Ring(IAtomContainer atomContainer)

Constructs a ring from the atoms in an IAtomContainer object.

Parameters:

atomContainer - The IAtomContainer object containing the atoms to form the ring

Ring

public Ring(int ringSize,
    String elementSymbol)

Constructs a ring that will have a certain number of atoms of the given elements.

Parameters:

ringSize - The number of atoms and bonds the ring will have

elementSymbol - The element of the atoms the ring will have

Ring

public Ring(int ringSize)

Constructs an empty ring that will have a certain size.

Parameters:

ringSize - The size (number of atoms) the ring will have

Method Detail

getRingSize

public int getRingSize()

Returns the number of atoms\edges in this ring.

Specified by:

getRingSize in interface IRing

Returns:

The number of atoms\edges in this ring

getNextBond

public IBond getNextBond(IBond bond,
                IAtom atom)

Returns the next bond in order, relative to a given bond and atom. Example: Let the ring be composed of 0-1, 1-2, 2-3 and 3-0. A request getNextBond(1-2, 2) will return Bond 2-3.

Specified by:

getNextBond in interface IRing

Parameters:

bond - A bond for which an atom from a consecutive bond is sought

atom - A atom from the bond above to assign a search direction

Returns:

The next bond in the order given by the above assignment

getBondOrderSum

public int getBondOrderSum()

Returns the sum of all bond orders in the ring.

Specified by:

getBondOrderSum in interface IRing

Returns:

the sum of all bond orders in the ring

clone

public IRing clone()
            throws CloneNotSupportedException

Clones this AtomContainer object and its content.

Specified by:

clone in interface IAtomContainer

Specified by:

clone in interface IChemObject

Specified by:

clone in interface IRing

Overrides:

clone in class AtomContainer

Returns:

The cloned object

Throws:

CloneNotSupportedException - if the IChemObject cannot be cloned

See Also:

ChemObject.shallowCopy()

toString

public String toString()

Description copied from class: AtomContainer

Returns a one line string representation of this Container. This method is conform RFC #9.

Specified by:

toString in interface IChemObject

Overrides:

toString in class AtomContainer

Returns:

The string representation of this Container