Package org.openscience.cdk.interfaces
Interface ISingleElectron
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- 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
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Field Summary
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Fields inherited from interface org.openscience.cdk.interfaces.IChemObject
ALIPHATIC, AROMATIC, CONJUGATED, HYDROGEN_BOND_ACCEPTOR, HYDROGEN_BOND_DONOR, IN_RING, MAPPED, NOT_IN_RING, PLACED, REACTIVE_CENTER, SINGLE_OR_DOUBLE, TYPEABLE, VISITED
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Method Summary
All Methods Instance Methods Abstract Methods Modifier and Type Method Description boolean
contains(IAtom atom)
Returns true if the given atom participates in this SingleElectron.IAtom
getAtom()
Returns the associated Atom.void
setAtom(IAtom atom)
Sets the associated Atom.-
Methods inherited from interface org.openscience.cdk.interfaces.ICDKObject
getBuilder
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Methods inherited from interface org.openscience.cdk.interfaces.IChemObject
addListener, addProperties, clear, clone, flags, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, is, notifyChanged, notifyChanged, removeListener, removeProperty, set, setFlag, setFlags, setID, setNotification, setProperties, setProperty, toString
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Methods inherited from interface org.openscience.cdk.interfaces.IElectronContainer
getElectronCount, setElectronCount
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Method Detail
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getAtom
IAtom getAtom()
Returns the associated Atom.- Returns:
- the associated Atom.
- See Also:
setAtom(org.openscience.cdk.interfaces.IAtom)
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setAtom
void setAtom(IAtom atom)
Sets the associated Atom.- Parameters:
atom
- the Atom this SingleElectron will be associated with- See Also:
getAtom()
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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
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