Package org.openscience.cdk

Class ReactionSet

java.lang.Object

org.openscience.cdk.ChemObject

org.openscience.cdk.ReactionSet

All Implemented Interfaces:

Serializable, Cloneable, ICDKObject, IChemObject, IChemObjectListener, IReactionSet

Direct Known Subclasses:

DebugReactionSet, ReactionChain, ReactionScheme

public class ReactionSet
extends ChemObject
implements Serializable, IReactionSet, IChemObjectListener, Cloneable

A set of reactions, for example those taking part in a reaction. To retrieve the reactions from the set, there are two options:

 Iterator reactions = reactionSet.reactions();
 while (reactions.hasNext()) {
     IReaction reaction = (IReaction)reactions.next();
 }
 

and

 for (int i=0; i < reactionSet.getReactionCount(); i++) {
    IReaction reaction = reactionSet.getReaction(i);
 }
 

See Also:

• Serialized Form

Keywords:

reaction

Field Summary

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
ReactionSet()	Constructs an empty ReactionSet.

Method Summary

Modifier and Type	Method	Description
void	addReaction(IReaction reaction)	Adds an reaction to this container.
Object	clone()	Clones this ReactionSet and the contained Reactions too.
IReaction	getReaction(int number)	Returns the Reaction at position number in the container.
int	getReactionCount()	Returns the number of Reactions in this Container.
boolean	isEmpty()	Returns true if this IReactionSet is empty.
Iterable<IReaction>	reactions()	Get an iterator for this reaction set.
void	removeAllReactions()	Removes all Reactions from this container.
void	removeReaction(int pos)	Remove a reaction from this set.
void	removeReaction(IReaction relevantReaction)	Removes all instances of a reaction from this IReactionSet.
void	stateChanged(IChemObjectChangeEvent event)	Called by objects to notify objects that implemented this interface and registered with them as ChemObjectListeners.
String	toString()	Returns a one line description of this IChemObject.

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.ICDKObject

getBuilder

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

addListener, addProperties, clear, flags, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, is, notifyChanged, notifyChanged, removeListener, removeProperty, set, setFlag, setFlags, setID, setNotification, setProperties, setProperty

Constructor Details

ReactionSet

public ReactionSet()

Constructs an empty ReactionSet.

Method Details

addReaction

public void addReaction(IReaction reaction)

Adds an reaction to this container.

Specified by:

addReaction in interface IReactionSet

Parameters:

reaction - The reaction to be added to this container

removeReaction

public void removeReaction(int pos)

Remove a reaction from this set.

Specified by:

removeReaction in interface IReactionSet

Parameters:

pos - The position of the reaction to be removed.

getReaction

public IReaction getReaction(int number)

Returns the Reaction at position number in the container.

Specified by:

getReaction in interface IReactionSet

Parameters:

number - The position of the Reaction to be returned

Returns:

The Reaction at position number

reactions

public Iterable<IReaction> reactions()

Get an iterator for this reaction set.

Specified by:

reactions in interface IReactionSet

Returns:

A new Iterator for this ReactionSet.

getReactionCount

public int getReactionCount()

Returns the number of Reactions in this Container.

Specified by:

getReactionCount in interface IReactionSet

Returns:

The number of Reactions in this Container

toString

public String toString()

Description copied from interface: IChemObject

Returns a one line description of this IChemObject.

Specified by:

toString in interface IChemObject

Overrides:

toString in class Object

Returns:

a String representation of this object

clone

public Object clone()
             throws CloneNotSupportedException

Clones this ReactionSet and the contained Reactions too.

Specified by:

clone in interface IChemObject

Overrides:

clone in class ChemObject

Returns:

The cloned ReactionSet

Throws:

CloneNotSupportedException - if the IChemObject cannot be cloned

removeAllReactions

public void removeAllReactions()

Removes all Reactions from this container.

Specified by:

removeAllReactions in interface IReactionSet

stateChanged

public void stateChanged(IChemObjectChangeEvent event)

Description copied from interface: IChemObjectListener

Called by objects to notify objects that implemented this interface and registered with them as ChemObjectListeners.

Specified by:

stateChanged in interface IChemObjectListener

Parameters:

event - a ChemObjectChangeEvent object

removeReaction

public void removeReaction(IReaction relevantReaction)

Description copied from interface: IReactionSet

Removes all instances of a reaction from this IReactionSet.

Specified by:

removeReaction in interface IReactionSet

Parameters:

relevantReaction - the reaction to remove

isEmpty

public boolean isEmpty()

Returns true if this IReactionSet is empty.

Specified by:

isEmpty in interface IReactionSet

Returns:

a boolean indicating if this ring set no reactions