Package org.openscience.cdk.debug
Class DebugChemModel
- java.lang.Object
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- org.openscience.cdk.ChemObject
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- org.openscience.cdk.ChemModel
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- org.openscience.cdk.debug.DebugChemModel
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- All Implemented Interfaces:
Serializable
,Cloneable
,ICDKObject
,IChemModel
,IChemObject
,IChemObjectListener
public class DebugChemModel extends ChemModel implements IChemModel
Debugging data class.- Author:
- egonw
- See Also:
- Serialized Form
- Source code:
- main
- Belongs to CDK module:
- datadebug
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Field Summary
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Fields inherited from class org.openscience.cdk.ChemModel
crystal, ringSet, setOfMolecules, setOfReactions
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Constructor Summary
Constructors Constructor Description DebugChemModel()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description void
addListener(IChemObjectListener col)
Use this to add yourself to this IChemObject as a listener.void
addProperties(Map<Object,Object> properties)
Sets the properties of this object.Object
clone()
Clones thisChemModel
and its content.IChemObjectBuilder
getBuilder()
Returns aIChemObjectBuilder
for the data classes that extend this class.ICrystal
getCrystal()
Gets the Crystal contained in this ChemModel.boolean
getFlag(int flagType)
Returns the value of a given flag.boolean[]
getFlags()
Returns the whole set of flags.String
getID()
Returns the identifier (ID) of this object.int
getListenerCount()
Returns the number of ChemObjectListeners registered with this object.IAtomContainerSet
getMoleculeSet()
Returns the MoleculeSet of this ChemModel.Map<Object,Object>
getProperties()
Returns a Map with the IChemObject's properties.<T> T
getProperty(Object description)
Returns a property for the IChemObject.IReactionSet
getReactionSet()
Gets the ReactionSet contained in this ChemModel.IRingSet
getRingSet()
Returns the RingSet of this ChemModel.boolean
isEmpty()
Returns true if this ChemModel is empty.void
notifyChanged()
This should be triggered by an method that changes the content of an object to that the registered listeners can react to it.void
notifyChanged(IChemObjectChangeEvent evt)
This should be triggered by an method that changes the content of an object to that the registered listeners can react to it.void
removeListener(IChemObjectListener col)
Use this to remove a ChemObjectListener from the ListenerList of this IChemObject.void
removeProperty(Object description)
Removes a property for a IChemObject.void
setCrystal(ICrystal crystal)
Sets the Crystal contained in this ChemModel.void
setFlag(int flagType, boolean flagValue)
Sets the value of some flag.void
setFlags(boolean[] flagsNew)
Sets the whole set of flags.void
setID(String identifier)
Sets the identifier (ID) of this object.void
setMoleculeSet(IAtomContainerSet setOfMolecules)
Sets the MoleculeSet of this ChemModel.void
setProperty(Object description, Object property)
Sets a property for a IChemObject.void
setReactionSet(IReactionSet sor)
Sets the ReactionSet contained in this ChemModel.void
setRingSet(IRingSet ringSet)
Sets the RingSet of this ChemModel.-
Methods inherited from class org.openscience.cdk.ChemModel
stateChanged, toString
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Methods inherited from class org.openscience.cdk.ChemObject
compare, getFlagValue, getNotification, getProperty, setNotification, setProperties, shallowCopy
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Methods inherited from class java.lang.Object
equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait
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Methods inherited from interface org.openscience.cdk.interfaces.IChemObject
getFlagValue, getNotification, getProperty, setNotification, setProperties, toString
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Method Detail
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addListener
public void addListener(IChemObjectListener col)
Use this to add yourself to this IChemObject as a listener. In order to do so, you must implement the ChemObjectListener Interface.- Specified by:
addListener
in interfaceIChemObject
- Overrides:
addListener
in classChemObject
- Parameters:
col
- the ChemObjectListener- See Also:
ChemObject.removeListener(org.openscience.cdk.interfaces.IChemObjectListener)
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getListenerCount
public int getListenerCount()
Returns the number of ChemObjectListeners registered with this object.- Specified by:
getListenerCount
in interfaceIChemObject
- Overrides:
getListenerCount
in classChemObject
- Returns:
- the number of registered listeners.
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removeListener
public void removeListener(IChemObjectListener col)
Use this to remove a ChemObjectListener from the ListenerList of this IChemObject. It will then not be notified of change in this object anymore.- Specified by:
removeListener
in interfaceIChemObject
- Overrides:
removeListener
in classChemObject
- Parameters:
col
- The ChemObjectListener to be removed- See Also:
ChemObject.addListener(org.openscience.cdk.interfaces.IChemObjectListener)
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notifyChanged
public void notifyChanged()
This should be triggered by an method that changes the content of an object to that the registered listeners can react to it.- Specified by:
notifyChanged
in interfaceIChemObject
- Overrides:
notifyChanged
in classChemObject
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notifyChanged
public void notifyChanged(IChemObjectChangeEvent evt)
This should be triggered by an method that changes the content of an object to that the registered listeners can react to it. This is a version of notifyChanged() which allows to propagate a change event while preserving the original origin.- Specified by:
notifyChanged
in interfaceIChemObject
- Overrides:
notifyChanged
in classChemObject
- Parameters:
evt
- A ChemObjectChangeEvent pointing to the source of where the change happened
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setProperty
public void setProperty(Object description, Object property)
Sets a property for a IChemObject.- Specified by:
setProperty
in interfaceIChemObject
- Overrides:
setProperty
in classChemObject
- Parameters:
description
- An object description of the property (most likely a unique string)property
- An object with the property itself- See Also:
ChemObject.getProperty(java.lang.Object)
,ChemObject.removeProperty(java.lang.Object)
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removeProperty
public void removeProperty(Object description)
Removes a property for a IChemObject.- Specified by:
removeProperty
in interfaceIChemObject
- Overrides:
removeProperty
in classChemObject
- Parameters:
description
- The object description of the property (most likely a unique string)- See Also:
ChemObject.setProperty(java.lang.Object, java.lang.Object)
,ChemObject.getProperty(java.lang.Object)
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getProperty
public <T> T getProperty(Object description)
Returns a property for the IChemObject.- Specified by:
getProperty
in interfaceIChemObject
- Overrides:
getProperty
in classChemObject
- Type Parameters:
T
- generic return type- Parameters:
description
- An object description of the property (most likely a unique string)- Returns:
- The object containing the property. Returns null if propert is not set.
- See Also:
ChemObject.setProperty(java.lang.Object, java.lang.Object)
,ChemObject.removeProperty(java.lang.Object)
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getProperties
public Map<Object,Object> getProperties()
Returns a Map with the IChemObject's properties.- Specified by:
getProperties
in interfaceIChemObject
- Overrides:
getProperties
in classChemObject
- Returns:
- The object's properties as an Hashtable
- See Also:
ChemObject.addProperties(java.util.Map<java.lang.Object, java.lang.Object>)
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getID
public String getID()
Returns the identifier (ID) of this object.- Specified by:
getID
in interfaceIChemObject
- Overrides:
getID
in classChemObject
- Returns:
- a String representing the ID value
- See Also:
ChemObject.setID(java.lang.String)
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setID
public void setID(String identifier)
Sets the identifier (ID) of this object.- Specified by:
setID
in interfaceIChemObject
- Overrides:
setID
in classChemObject
- Parameters:
identifier
- a String representing the ID value- See Also:
ChemObject.getID()
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setFlag
public void setFlag(int flagType, boolean flagValue)
Sets the value of some flag. The flag is a mask from a given CDKConstant (e.g.CDKConstants.ISAROMATIC
orCDKConstants.VISITED
). The flags are intrinsic internal properties and should not be used to store custom values, please useIChemObject.setProperty(Object, Object)
.// set this chem object to be aromatic chemObject.setFlag(CDKConstants.ISAROMATIC, Boolean.TRUE); // ... // indicate we have visited this chem object chemObject.setFlag(CDKConstants.VISITED, Boolean.TRUE);
- Specified by:
setFlag
in interfaceIChemObject
- Overrides:
setFlag
in classChemObject
- Parameters:
flagType
- flag to set the value forflagValue
- value to assign to flag- See Also:
IChemObject.getFlag(int)
,CDKConstants
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getFlag
public boolean getFlag(int flagType)
Returns the value of a given flag. The flag is a mask from a given CDKConstant (e.g.CDKConstants.ISAROMATIC
).if(chemObject.getFlag(CDKConstants.ISAROMATIC)){ // handle aromatic flag on this chem object }
- Specified by:
getFlag
in interfaceIChemObject
- Overrides:
getFlag
in classChemObject
- Parameters:
flagType
- flag to retrieve the value of- Returns:
- true if the flag
flag_type
is set - See Also:
IChemObject.setFlag(int, boolean)
,CDKConstants
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addProperties
public void addProperties(Map<Object,Object> properties)
Sets the properties of this object.- Specified by:
addProperties
in interfaceIChemObject
- Overrides:
addProperties
in classChemObject
- Parameters:
properties
- a Hashtable specifying the property values- See Also:
ChemObject.getProperties()
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setFlags
public void setFlags(boolean[] flagsNew)
Sets the whole set of flags.- Specified by:
setFlags
in interfaceIChemObject
- Overrides:
setFlags
in classChemObject
- Parameters:
flagsNew
- the new flags.- See Also:
ChemObject.getFlags()
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getFlags
public boolean[] getFlags()
Returns the whole set of flags.- Specified by:
getFlags
in interfaceIChemObject
- Overrides:
getFlags
in classChemObject
- Returns:
- the flags.
- See Also:
ChemObject.setFlags(boolean[])
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clone
public Object clone() throws CloneNotSupportedException
Clones thisChemModel
and its content.- Specified by:
clone
in interfaceIChemObject
- Overrides:
clone
in classChemModel
- Returns:
- The cloned object
- Throws:
CloneNotSupportedException
- if the IChemObject cannot be cloned
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getBuilder
public IChemObjectBuilder getBuilder()
Returns aIChemObjectBuilder
for the data classes that extend this class.- Specified by:
getBuilder
in interfaceICDKObject
- Overrides:
getBuilder
in classChemObject
- Returns:
- The
IChemObjectBuilder
matching thisICDKObject
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getMoleculeSet
public IAtomContainerSet getMoleculeSet()
Returns the MoleculeSet of this ChemModel.- Specified by:
getMoleculeSet
in interfaceIChemModel
- Overrides:
getMoleculeSet
in classChemModel
- Returns:
- The MoleculeSet of this ChemModel
- See Also:
ChemModel.setMoleculeSet(org.openscience.cdk.interfaces.IAtomContainerSet)
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setMoleculeSet
public void setMoleculeSet(IAtomContainerSet setOfMolecules)
Sets the MoleculeSet of this ChemModel.- Specified by:
setMoleculeSet
in interfaceIChemModel
- Overrides:
setMoleculeSet
in classChemModel
- Parameters:
setOfMolecules
- the content of this model- See Also:
ChemModel.getMoleculeSet()
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getRingSet
public IRingSet getRingSet()
Returns the RingSet of this ChemModel.- Specified by:
getRingSet
in interfaceIChemModel
- Overrides:
getRingSet
in classChemModel
- Returns:
- the ringset of this model
- See Also:
ChemModel.setRingSet(org.openscience.cdk.interfaces.IRingSet)
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setRingSet
public void setRingSet(IRingSet ringSet)
Sets the RingSet of this ChemModel.- Specified by:
setRingSet
in interfaceIChemModel
- Overrides:
setRingSet
in classChemModel
- Parameters:
ringSet
- the content of this model- See Also:
ChemModel.getRingSet()
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getCrystal
public ICrystal getCrystal()
Gets the Crystal contained in this ChemModel.- Specified by:
getCrystal
in interfaceIChemModel
- Overrides:
getCrystal
in classChemModel
- Returns:
- The crystal in this model
- See Also:
ChemModel.setCrystal(org.openscience.cdk.interfaces.ICrystal)
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setCrystal
public void setCrystal(ICrystal crystal)
Sets the Crystal contained in this ChemModel.- Specified by:
setCrystal
in interfaceIChemModel
- Overrides:
setCrystal
in classChemModel
- Parameters:
crystal
- the Crystal to store in this model- See Also:
ChemModel.getCrystal()
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getReactionSet
public IReactionSet getReactionSet()
Gets the ReactionSet contained in this ChemModel.- Specified by:
getReactionSet
in interfaceIChemModel
- Overrides:
getReactionSet
in classChemModel
- Returns:
- The ReactionSet in this model
- See Also:
ChemModel.setReactionSet(org.openscience.cdk.interfaces.IReactionSet)
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setReactionSet
public void setReactionSet(IReactionSet sor)
Sets the ReactionSet contained in this ChemModel.- Specified by:
setReactionSet
in interfaceIChemModel
- Overrides:
setReactionSet
in classChemModel
- Parameters:
sor
- the ReactionSet to store in this model- See Also:
ChemModel.getReactionSet()
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isEmpty
public boolean isEmpty()
Returns true if this ChemModel is empty.- Specified by:
isEmpty
in interfaceIChemModel
- Overrides:
isEmpty
in classChemModel
- Returns:
- a boolean indicating if this model has no content
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