Package org.openscience.cdk

Class LonePair

java.lang.Object

org.openscience.cdk.ChemObject

org.openscience.cdk.ElectronContainer

org.openscience.cdk.LonePair

All Implemented Interfaces:

Serializable, Cloneable, ICDKObject, IChemObject, IElectronContainer, ILonePair

Direct Known Subclasses:

DebugLonePair

public class LonePair
extends ElectronContainer
implements Serializable, ILonePair, Cloneable

A LonePair is an orbital primarily located with one Atom, containing two electrons.

See Also:

Serialized Form

Source code:

main

Belongs to CDK module:

data

Keywords:

orbital, lone-pair

Field Summary

Fields

Modifier and Type	Field	Description
protected IAtom	atom	The atom with which this lone pair is associated.
protected int	electronCount	Number of electrons in the lone pair.

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

Constructor Summary

Constructors

Constructor	Description
LonePair()	Constructs an unconnected lone pair.
LonePair(IAtom atom)	Constructs an lone pair on an Atom.

Method Summary

Modifier and Type	Method	Description
Object	clone()	Clones this LonePair object, including a clone of the atom for which the lone pair is defined.
boolean	contains(IAtom atom)	Returns true if the given atom participates in this lone pair.
IAtom	getAtom()	Returns the associated Atom.
Integer	getElectronCount()	Returns the number of electrons in a LonePair.
void	setAtom(IAtom atom)	Sets the associated Atom.
String	toString()	Returns a one line string representation of this LonePair.

Methods inherited from class org.openscience.cdk.ElectronContainer

setElectronCount

Methods inherited from class org.openscience.cdk.ChemObject

addListener, addProperties, clear, compare, flags, getBuilder, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, is, notifyChanged, notifyChanged, removeListener, removeProperty, set, setFlag, setFlags, setID, setNotification, setProperties, setProperty, 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.ICDKObject

getBuilder

Methods inherited from interface org.openscience.cdk.interfaces.IChemObject

addListener, addProperties, clear, flags, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, is, notifyChanged, notifyChanged, removeListener, removeProperty, set, setFlag, setFlags, setID, setNotification, setProperties, setProperty

Methods inherited from interface org.openscience.cdk.interfaces.IElectronContainer

setElectronCount

Field Detail

electronCount

protected final int electronCount

Number of electrons in the lone pair.

See Also:

Constant Field Values

atom

protected IAtom atom

The atom with which this lone pair is associated.

Constructor Detail

LonePair

public LonePair()

Constructs an unconnected lone pair.

LonePair

public LonePair(IAtom atom)

Constructs an lone pair on an Atom.

Parameters:

atom - Atom to which this lone pair is connected

Method Detail

getElectronCount

public Integer getElectronCount()

Returns the number of electrons in a LonePair.

Specified by:

getElectronCount in interface IElectronContainer

Overrides:

getElectronCount in class ElectronContainer

Returns:

The number of electrons in a LonePair.

See Also:

ElectronContainer.setElectronCount(java.lang.Integer)

getAtom

public IAtom getAtom()

Returns the associated Atom.

Specified by:

getAtom in interface ILonePair

Returns:

the associated Atom.

See Also:

setAtom(org.openscience.cdk.interfaces.IAtom)

setAtom

public void setAtom(IAtom atom)

Sets the associated Atom.

Specified by:

setAtom in interface ILonePair

Parameters:

atom - the Atom this lone pair will be associated with

See Also:

getAtom()

contains

public boolean contains(IAtom atom)

Returns true if the given atom participates in this lone pair.

Specified by:

contains in interface ILonePair

Parameters:

atom - The atom to be tested if it participates in this bond

Returns:

true if this lone pair is associated with the atom

clone

public Object clone()
             throws CloneNotSupportedException

Clones this LonePair object, including a clone of the atom for which the lone pair is defined.

Specified by:

clone in interface IChemObject

Overrides:

clone in class ElectronContainer

Returns:

The cloned object

Throws:

CloneNotSupportedException - if the IChemObject cannot be cloned

toString

public String toString()

Returns a one line string representation of this LonePair. This method is conform RFC #9.

Specified by:

toString in interface IChemObject

Overrides:

toString in class ElectronContainer

Returns:

The string representation of this LonePair