Package org.openscience.cdk.debug

Class DebugRingSet

java.lang.Object

org.openscience.cdk.ChemObject

org.openscience.cdk.AtomContainerSet

org.openscience.cdk.RingSet

org.openscience.cdk.debug.DebugRingSet

All Implemented Interfaces:

Serializable, Cloneable, Iterable<IAtomContainer>, IAtomContainerSet, ICDKObject, IChemObject, IChemObjectListener, IRingSet

public class DebugRingSet
extends RingSet
implements IRingSet

Debugging data class.

Author:

egonw

See Also:

• Serialized Form

Field Summary

Fields inherited from class org.openscience.cdk.AtomContainerSet

atomContainerCount, atomContainers, growArraySize, multipliers

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

ALIPHATIC, AROMATIC, CONJUGATED, HYDROGEN_BOND_ACCEPTOR, HYDROGEN_BOND_DONOR, IN_RING, MAPPED, MARKUSH, NOT_IN_RING, PLACED, REACTIVE_CENTER, SINGLE_OR_DOUBLE, TYPEABLE, VISITED

Constructor Summary

Constructors

Constructor	Description
DebugRingSet()

Method Summary

Modifier and Type	Method	Description
void	add(IRingSet ringSet)	Adds all rings of another RingSet if they are not already part of this ring set.
boolean	contains(IAtom atom)	True, if at least one of the rings in the ringset contains the given atom.
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.

Methods inherited from class org.openscience.cdk.RingSet

clone, contains, toString

Methods inherited from class org.openscience.cdk.AtomContainerSet

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

Methods inherited from class org.openscience.cdk.ChemObject

addListener, addProperties, clear, compare, flags, getBuilder, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, is, notifyChanged, notifyChanged, removeListener, removeProperty, set, 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.IAtomContainerSet

add, addAtomContainer, addAtomContainer, atomContainers, getAtomContainer, getAtomContainerCount, getMultiplier, getMultiplier, getMultipliers, iterator, 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, clear, clone, flags, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, is, notifyChanged, notifyChanged, removeListener, removeProperty, set, setFlag, setFlags, setID, setNotification, setProperties, setProperty, toString

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

contains, isEmpty

Methods inherited from interface java.lang.Iterable

forEach, spliterator

Constructor Details

DebugRingSet

public DebugRingSet()

Method Details

getRings

public IRingSet getRings(IBond bond)

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

Specified by:

getRings in interface IRingSet

Overrides:

getRings in class RingSet

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

Overrides:

getRings in class RingSet

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

Overrides:

getConnectedRings in class RingSet

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

Overrides:

add in class RingSet

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

Overrides:

contains in class RingSet

Parameters:

atom - Atom to check

Returns:

true, if the ringset contains the atom