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org::openscience::cdk::SingleElectron Class Reference

Inheritance diagram for org::openscience::cdk::SingleElectron:

org::openscience::cdk::ElectronContainer org::openscience::cdk::interfaces::ISingleElectron org::openscience::cdk::ChemObject org::openscience::cdk::interfaces::IElectronContainer org::openscience::cdk::interfaces::IElectronContainer org::openscience::cdk::interfaces::IChemObject org::openscience::cdk::interfaces::IChemObject org::openscience::cdk::interfaces::IChemObject org::openscience::cdk::debug::DebugSingleElectron org::openscience::cdk::nonotify::NNSingleElectron

List of all members.


Detailed Description

A Single Electron is an orbital which is occupied by only one electron. A radical in CDK is represented by an AtomContainer that contains an Atom and a SingleElectron type ElectronContainer:
   AtomContainer radical = new org.openscience.cdk.AtomContainer();
   Atom carbon = new Atom("C");
   carbon.setImplicitHydrogens(3);
   radical.addElectronContainer(new SingleElectron(carbon));
 

.module data

.keyword radical .keyword electron, unpaired

Definition at line 48 of file SingleElectron.java.


Public Member Functions

void addListener (IChemObjectListener col)
Object clone () throws CloneNotSupportedException
boolean compare (Object object)
boolean contains (IAtom atom)
boolean contains (org.openscience.cdk.interfaces.IAtom atom)
org.openscience.cdk.interfaces.IAtom getAtom ()
IChemObjectBuilder getBuilder ()
int getElectronCount ()
boolean getFlag (int flag_type)
boolean[] getFlags ()
String getID ()
int getListenerCount ()
boolean getNotification ()
Hashtable getProperties ()
Object getProperty (Object description)
void notifyChanged (IChemObjectChangeEvent evt)
void notifyChanged ()
void removeListener (IChemObjectListener col)
void removeProperty (Object description)
void setAtom (IAtom atom)
void setAtom (org.openscience.cdk.interfaces.IAtom atom)
void setElectronCount (int electronCount)
void setFlag (int flag_type, boolean flag_value)
void setFlags (boolean[] flagsNew)
void setID (String identifier)
void setNotification (boolean bool)
void setProperties (Hashtable properties)
void setProperty (Object description, Object property)
Object shallowCopy ()
 SingleElectron ()
 SingleElectron (org.openscience.cdk.interfaces.IAtom atom)
String toString ()

Protected Attributes

org.openscience.cdk.interfaces.IAtom atom
final int electronCount = 1

Static Private Attributes

static final long serialVersionUID = 7796574734668490940L

The documentation for this class was generated from the following file:

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