org.openscience.cdk
Class RingSet

java.lang.Object
  org.openscience.cdk.ChemObject
      org.openscience.cdk.AtomContainerSet
          org.openscience.cdk.RingSet

All Implemented Interfaces:

Serializable, Cloneable, IAtomContainerSet, ICDKObject, IChemObject, IChemObjectListener, IRingSet

Direct Known Subclasses:

DebugRingSet, NNRingSet

public class RingSet
extends AtomContainerSet
implements Serializable, IRingSet, Cloneable

Maintains a set of Ring objects.

See Also:

Serialized Form

Keywords:

ring, set of

Belongs to CDK module:

data

Source code:

HEAD

Field Summary

static int	LARGE_FIRST Flag to denote that the set is order with the largest ring first?
static int	SMALL_FIRST Flag to denote that the set is order with the smallest ring first?

Constructor Summary

RingSet()
The constructor.

Method Summary

void	add(IRingSet ringSet) Adds all rings of another RingSet if they are not already part of this ring set.
Object	clone() Clones this RingSet including the Rings.
boolean	contains(IAtom atom) True, if at least one of the rings in the ringset contains the given atom.
boolean	contains(IAtomContainer ring) Checks for presence of a ring in this RingSet.
IRingSet	getConnectedRings(IRing ring) Returns all the rings in the RingSet that share one or more atoms with a given ring.
IRingSet	getRings(IAtom atom) Returns a vector of all rings that this atom is part of.
IRingSet	getRings(IBond bond) Returns a vector of all rings that this bond is part of.
String	toString() Returns the String representation of this RingSet.

Methods inherited from class org.openscience.cdk.AtomContainerSet

add, addAtomContainer, addAtomContainer, atomContainers, getAtomContainer, getAtomContainerCount, getMultiplier, getMultiplier, getMultipliers, removeAllAtomContainers, removeAtomContainer, removeAtomContainer, replaceAtomContainer, setMultiplier, setMultiplier, setMultipliers, sortAtomContainers, stateChanged

Methods inherited from class org.openscience.cdk.ChemObject

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

Methods inherited from class java.lang.Object

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

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

add, addAtomContainer, addAtomContainer, atomContainers, getAtomContainer, getAtomContainerCount, getMultiplier, getMultiplier, getMultipliers, removeAllAtomContainers, removeAtomContainer, removeAtomContainer, replaceAtomContainer, setMultiplier, setMultiplier, setMultipliers, sortAtomContainers

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

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

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

getBuilder

Field Detail

LARGE_FIRST

public static final int LARGE_FIRST

Flag to denote that the set is order with the largest ring first?

See Also:

Constant Field Values

SMALL_FIRST

public static final int SMALL_FIRST

Flag to denote that the set is order with the smallest ring first?

See Also:

Constant Field Values

Constructor Detail

RingSet

public RingSet()

The constructor.

Method Detail

getRings

public IRingSet getRings(IBond bond)

Returns a vector of all rings that this bond is part of.

Specified by:

getRings in interface IRingSet

Parameters:

bond - The bond to be checked

Returns:

A vector of all rings that this bond is part of

getRings

public IRingSet getRings(IAtom atom)

Returns a vector of all rings that this atom is part of.

Specified by:

getRings in interface IRingSet

Parameters:

atom - The atom to be checked

Returns:

A vector of all rings that this bond is part of

getConnectedRings

public IRingSet getConnectedRings(IRing ring)

Returns all the rings in the RingSet that share one or more atoms with a given ring.

Specified by:

getConnectedRings in interface IRingSet

Parameters:

ring - A ring with which all return rings must share one or more atoms

Returns:

All the rings that share one or more atoms with a given ring.

add

public void add(IRingSet ringSet)

Adds all rings of another RingSet if they are not already part of this ring set. If you want to add a single ring to the set use AtomContainerSet.addAtomContainer(org.openscience.cdk.interfaces.IAtomContainer)

Specified by:

add in interface IRingSet

Parameters:

ringSet - the ring set to be united with this one.

contains

public boolean contains(IAtom atom)

True, if at least one of the rings in the ringset contains the given atom.

Specified by:

contains in interface IRingSet

Parameters:

atom - Atom to check

Returns:

true, if the ringset contains the atom

contains

public boolean contains(IAtomContainer ring)

Checks for presence of a ring in this RingSet.

Specified by:

contains in interface IRingSet

Parameters:

ring - The ring to check

Returns:

true if ring is part of RingSet

clone

public Object clone()
             throws CloneNotSupportedException

Clones this RingSet including the Rings.

Specified by:

clone in interface IChemObject

Overrides:

clone in class AtomContainerSet

Returns:

The cloned object

Throws:

CloneNotSupportedException - if the IChemObject cannot be cloned

toString

public String toString()

Returns the String representation of this RingSet.

Specified by:

toString in interface IChemObject

Overrides:

toString in class AtomContainerSet

Returns:

The String representation of this RingSet