Package org.openscience.cdk.debug
Class DebugLonePair
java.lang.Object
org.openscience.cdk.ChemObject
org.openscience.cdk.ElectronContainer
org.openscience.cdk.LonePair
org.openscience.cdk.debug.DebugLonePair
- All Implemented Interfaces:
Serializable
,Cloneable
,ICDKObject
,IChemObject
,IElectronContainer
,ILonePair
Debugging data class.
- Author:
- egonw
- See Also:
- Source code:
- main
- Belongs to CDK module:
- datadebug
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Field Summary
Fields inherited from class org.openscience.cdk.LonePair
atom, electronCount
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionvoid
Use this to add yourself to this IChemObject as a listener.void
addProperties
(Map<Object, Object> properties) Sets the properties of this object.clone()
Clones this LonePair object, including a clone of the atom for which the lone pair is defined.boolean
Returns true if the given atom participates in this lone pair.getAtom()
Returns the associated Atom.Returns aIChemObjectBuilder
for the data classes that extend this class.Returns the number of electrons in a LonePair.boolean
getFlag
(int flagType) Returns the value of a given flag.boolean[]
getFlags()
Returns the whole set of flags.getID()
Returns the identifier (ID) of this object.int
Returns the number of ChemObjectListeners registered with this object.Returns a Map with the IChemObject's properties.<T> T
getProperty
(Object description) Returns a property for the IChemObject.void
This should be triggered by an method that changes the content of an object to that the registered listeners can react to it.void
This should be triggered by an method that changes the content of an object to that the registered listeners can react to it.void
Use this to remove a ChemObjectListener from the ListenerList of this IChemObject.void
removeProperty
(Object description) Removes a property for a IChemObject.void
Sets the associated Atom.void
setElectronCount
(Integer electronCount) Sets the number of electrons in this electron container.void
setFlag
(int flagType, boolean flagValue) Sets the value of some flag.void
setFlags
(boolean[] flagsNew) Sets the whole set of flags.void
Sets the identifier (ID) of this object.void
setProperty
(Object description, Object property) Sets a property for a IChemObject.Methods inherited from class org.openscience.cdk.ChemObject
compare, getFlagValue, getNotification, getProperty, setNotification, setProperties, 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.IChemObject
getFlagValue, getNotification, getProperty, setNotification, setProperties, toString
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Constructor Details
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DebugLonePair
public DebugLonePair() -
DebugLonePair
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Method Details
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getAtom
Returns the associated Atom. -
setAtom
Sets the associated Atom. -
contains
Returns true if the given atom participates in this lone pair. -
getElectronCount
Returns the number of electrons in a LonePair.- Specified by:
getElectronCount
in interfaceIElectronContainer
- Overrides:
getElectronCount
in classLonePair
- Returns:
- The number of electrons in a LonePair.
- See Also:
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setElectronCount
Sets the number of electrons in this electron container.- Specified by:
setElectronCount
in interfaceIElectronContainer
- Overrides:
setElectronCount
in classElectronContainer
- Parameters:
electronCount
- The number of electrons in this electron container.- See Also:
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addListener
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:
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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
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:
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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
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
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:
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removeProperty
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:
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getProperty
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:
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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:
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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:
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setID
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:
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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:
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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:
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addProperties
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:
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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:
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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:
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clone
Clones this LonePair object, including a clone of the atom for which the lone pair is defined.- Specified by:
clone
in interfaceIChemObject
- Overrides:
clone
in classLonePair
- Returns:
- The cloned object
- Throws:
CloneNotSupportedException
- if the IChemObject cannot be cloned
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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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