org.openscience.cdk.interfaces

Interface IRing

All Superinterfaces:

Cloneable, IAtomContainer, ICDKObject, IChemObject, IChemObjectListener

All Known Implementing Classes:

DebugRing, Ring, Ring

public interface IRing
extends IAtomContainer

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.

Source code:

master

Belongs to CDK module:

interfaces

Keywords:

ring

Method Summary

Modifier and Type	Method and Description
IRing	clone() Returns a deep clone of this IChemObject.
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/bonds in this ring.

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, getTitle, indexOf, indexOf, indexOf, indexOf, isEmpty, lonePairs, remove, removeAllBonds, removeAllElectronContainers, removeAllElements, removeAtom, removeAtom, removeAtomAndConnectedElectronContainers, removeAtomOnly, removeAtomOnly, removeBond, removeBond, removeBond, removeElectronContainer, removeElectronContainer, removeLonePair, removeLonePair, removeSingleElectron, removeSingleElectron, setAtom, setAtoms, setBonds, setStereoElements, setTitle, 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, toString

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

getBuilder

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

stateChanged

Method Detail

getRingSize

int getRingSize()

Returns the number of atoms/bonds in this ring.

Returns:

The number of atoms/bonds in this ring

getNextBond

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.

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

int getBondOrderSum()

Returns the sum of all bond orders in the ring.

Returns:

the sum of all bond orders in the ring

clone

IRing clone()
     throws CloneNotSupportedException

Returns a deep clone of this IChemObject.

Specified by:

clone in interface IAtomContainer

Specified by:

clone in interface IChemObject

Returns:

Object the clone of this IChemObject.

Throws:

CloneNotSupportedException - if the IChemObject cannot be cloned