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 Detail

      • setAtom

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