Package org.openscience.cdk.silent
Class ChemModel
java.lang.Object
org.openscience.cdk.silent.ChemObject
org.openscience.cdk.silent.ChemModel
- All Implemented Interfaces:
Serializable
,Cloneable
,ICDKObject
,IChemModel
,IChemObject
,IChemObjectListener
public class ChemModel
extends ChemObject
implements Serializable, IChemModel, IChemObjectListener, Cloneable
An object containing multiple MoleculeSet and
the other lower level concepts like rings, sequences,
fragments, etc.
- See Also:
- Source code:
- main
- Belongs to CDK module:
- silent
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Field Summary
FieldsModifier and TypeFieldDescriptionprotected ICrystal
A Crystal.protected IRingSet
A RingSet.protected IAtomContainerSet
A MoleculeSet.protected IReactionSet
A ReactionSet. -
Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionclone()
Clones thisChemModel
and its content.Gets the Crystal contained in this ChemModel.Returns the MoleculeSet of this ChemModel.Gets the ReactionSet contained in this ChemModel.Returns the RingSet of this ChemModel.boolean
isEmpty()
Returns true if this ChemModel is empty.void
setCrystal
(ICrystal crystal) Sets the Crystal contained in this ChemModel.void
setMoleculeSet
(IAtomContainerSet setOfMolecules) Sets the MoleculeSet of this ChemModel.void
Sets the ReactionSet contained in this ChemModel.void
setRingSet
(IRingSet ringSet) Sets the RingSet of this ChemModel.void
Called by objects to which this object has registered as a listener.toString()
Returns a String representation of the contents of this IChemObject.Methods inherited from class org.openscience.cdk.silent.ChemObject
addListener, addProperties, compare, getBuilder, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, 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, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty
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Field Details
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setOfMolecules
A MoleculeSet. -
setOfReactions
A ReactionSet. -
ringSet
A RingSet. -
crystal
A Crystal.
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Constructor Details
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ChemModel
public ChemModel()Constructs an new ChemModel with a null setOfMolecules.
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Method Details
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getMoleculeSet
Returns the MoleculeSet of this ChemModel.- Specified by:
getMoleculeSet
in interfaceIChemModel
- Returns:
- The MoleculeSet of this ChemModel
- See Also:
-
setMoleculeSet
Sets the MoleculeSet of this ChemModel.- Specified by:
setMoleculeSet
in interfaceIChemModel
- Parameters:
setOfMolecules
- the content of this model- See Also:
-
getRingSet
Returns the RingSet of this ChemModel.- Specified by:
getRingSet
in interfaceIChemModel
- Returns:
- the ringset of this model
- See Also:
-
setRingSet
Sets the RingSet of this ChemModel.- Specified by:
setRingSet
in interfaceIChemModel
- Parameters:
ringSet
- the content of this model- See Also:
-
getCrystal
Gets the Crystal contained in this ChemModel.- Specified by:
getCrystal
in interfaceIChemModel
- Returns:
- The crystal in this model
- See Also:
-
setCrystal
Sets the Crystal contained in this ChemModel.- Specified by:
setCrystal
in interfaceIChemModel
- Parameters:
crystal
- the Crystal to store in this model- See Also:
-
getReactionSet
Gets the ReactionSet contained in this ChemModel.- Specified by:
getReactionSet
in interfaceIChemModel
- Returns:
- The ReactionSet in this model
- See Also:
-
setReactionSet
Sets the ReactionSet contained in this ChemModel.- Specified by:
setReactionSet
in interfaceIChemModel
- Parameters:
sor
- the ReactionSet to store in this model- See Also:
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toString
Returns a String representation of the contents of this IChemObject.- Specified by:
toString
in interfaceIChemObject
- Overrides:
toString
in classObject
- Returns:
- String representation of content
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clone
Clones thisChemModel
and its content.- Specified by:
clone
in interfaceIChemObject
- Overrides:
clone
in classChemObject
- Returns:
- The cloned object
- Throws:
CloneNotSupportedException
- if the IChemObject cannot be cloned
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stateChanged
Called by objects to which this object has registered as a listener.- Specified by:
stateChanged
in interfaceIChemObjectListener
- Parameters:
event
- A change event pointing to the source of the change
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isEmpty
public boolean isEmpty()Returns true if this ChemModel is empty.- Specified by:
isEmpty
in interfaceIChemModel
- Returns:
- a boolean indicating if this model has no content
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