Package org.openscience.cdk.interfaces

Interface IRingSet

All Superinterfaces:

Cloneable, IAtomContainerSet, ICDKObject, IChemObject

All Known Implementing Classes:

DebugRingSet, RingSet, RingSet

public interface IRingSet
extends IAtomContainerSet

Maintains a set of Ring objects.

Source code:

main

Belongs to CDK module:

interfaces

Keywords:

ring, set of

Method Summary

Modifier and Type	Method	Description
void	add(IRingSet ringSet)	Adds all rings of another RingSet if they are not allready part of this ring set.
boolean	contains(IAtom atom)	True, if at least one of the rings in the ringset contains the given atom.
boolean	contains(IAtomContainer container)	True, if this set contains the IAtomContainer.
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.
boolean	isEmpty()	Returns true if this IRingSet has no atoms.

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.ICDKObject

getBuilder

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

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

Method Detail

getRings

IRingSet getRings(IBond bond)

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

Parameters:

bond - The bond to be checked

Returns:

A vector of all rings that this bond is part of

getRings

IRingSet getRings(IAtom atom)

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

Parameters:

atom - The atom to be checked

Returns:

A vector of all rings that this bond is part of

getConnectedRings

IRingSet getConnectedRings(IRing ring)

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

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

void add(IRingSet ringSet)

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

Parameters:

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

contains

boolean contains(IAtom atom)

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

Parameters:

atom - IAtom to check

Returns:

true, if the ringset contains the atom

contains

boolean contains(IAtomContainer container)

True, if this set contains the IAtomContainer.

Parameters:

container - IAtomContainer to check

Returns:

true, if the ringset contains the container

isEmpty

boolean isEmpty()

Returns true if this IRingSet has no atoms.

Specified by:

isEmpty in interface IAtomContainerSet

Returns:

a boolean indicating if this ring set no atoms