org.jscience.chemistry
Class Bond

java.lang.Object
  org.jscience.chemistry.Bond

public class Bond
extends java.lang.Object

The Bond class defines the invisible link that exists between two Atoms of the same Molecule

Field Summary

static int	DOUBLE DOCUMENT ME!
static int	QUADRUPLE DOCUMENT ME!
static int	QUINTUPLE DOCUMENT ME!
static int	SEXTUPLE DOCUMENT ME!
static int	SIMPLE DOCUMENT ME!
static int	TRIPLE DOCUMENT ME!

Constructor Summary

Bond(Atom a, Atom b)
Creates a new Bond object.

Bond(Atom a, Atom b, int kind)
Creates a new Bond object.

Method Summary

double	computeCovalentLength() DOCUMENT ME!
double	computeLength() DOCUMENT ME!
Atom	getAtom1() DOCUMENT ME!
Atom	getAtom2() DOCUMENT ME!
java.util.Set	getAtoms() DOCUMENT ME!
double	getDipoleMoment() DOCUMENT ME!
double	getEnergy() DOCUMENT ME!
int	getKind() DOCUMENT ME!
double	getLength() DOCUMENT ME!
void	setDipoleMoment(double moment) DOCUMENT ME!
void	setEnergy(double energy) DOCUMENT ME!
void	setKind(int kind) DOCUMENT ME!
void	setLength(double length) DOCUMENT ME!

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

SIMPLE

public static final int SIMPLE

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See Also:

Constant Field Values

DOUBLE

public static final int DOUBLE

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Constant Field Values

TRIPLE

public static final int TRIPLE

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Constant Field Values

QUADRUPLE

public static final int QUADRUPLE

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Constant Field Values

QUINTUPLE

public static final int QUINTUPLE

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Constant Field Values

SEXTUPLE

public static final int SEXTUPLE

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See Also:

Constant Field Values

Constructor Detail

Bond

public Bond(Atom a,
            Atom b)

Creates a new Bond object.

Parameters:

a - DOCUMENT ME!

b - DOCUMENT ME!

Bond

public Bond(Atom a,
            Atom b,
            int kind)

Creates a new Bond object.

Parameters:

a - DOCUMENT ME!

b - DOCUMENT ME!

kind - DOCUMENT ME!

Throws:

java.lang.IllegalArgumentException - DOCUMENT ME!

Method Detail

getAtoms

public java.util.Set getAtoms()

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Returns:

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getAtom1

public Atom getAtom1()

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Returns:

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getAtom2

public Atom getAtom2()

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Returns:

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computeCovalentLength

public double computeCovalentLength()

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Returns:

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computeLength

public double computeLength()

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Returns:

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getLength

public double getLength()

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Returns:

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setLength

public void setLength(double length)

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Parameters:

length - DOCUMENT ME!

getKind

public int getKind()

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Returns:

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setKind

public void setKind(int kind)

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Parameters:

kind - DOCUMENT ME!

getEnergy

public double getEnergy()

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Returns:

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setEnergy

public void setEnergy(double energy)

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Parameters:

energy - DOCUMENT ME!

getDipoleMoment

public double getDipoleMoment()

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Returns:

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setDipoleMoment

public void setDipoleMoment(double moment)

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Parameters:

moment - DOCUMENT ME!