Interface ISingleElectron

All Superinterfaces:
Cloneable, ICDKObject, IChemObject, IElectronContainer
All Known Implementing Classes:
DebugSingleElectron, SingleElectron, SingleElectron

public interface ISingleElectron extends IElectronContainer
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 AtomContainer();
   Atom carbon = new Atom("C");
   carbon.setImplicitHydrogens(3);
   radical.addElectronContainer(new SingleElectron(carbon));
 
Source code:
main
Belongs to CDK module:
interfaces
Keywords:
radical, electron, unpaired
  • Method Details

    • getAtom

      IAtom getAtom()
      Returns the associated Atom.
      Returns:
      the associated Atom.
      See Also:
    • setAtom

      void setAtom(IAtom atom)
      Sets the associated Atom.
      Parameters:
      atom - the Atom this SingleElectron will be associated with
      See Also:
    • contains

      boolean contains(IAtom atom)
      Returns true if the given atom participates in this SingleElectron.
      Parameters:
      atom - The atom to be tested if it participates in this bond
      Returns:
      true if this SingleElectron is associated with the atom