org.jscience.chemistry.gui.extended.molecule
Class Bond

java.lang.Object
  org.jscience.chemistry.gui.extended.molecule.Bond

All Implemented Interfaces:

PropAttributesInter

public class Bond
extends java.lang.Object
implements PropAttributesInter

Tripos base Bond class

See Also:

Atom

Field Summary

Atom	a1 From and to atoms, respectively
Atom	a2 From and to atoms, respectively
static int	ANY Any bond type
static int	AROMATIC Aromatic bond type
static int	DASH Wedge down bond type
static int	DOUBLE Double bond type
protected int	id Bond id
PropAttributes	prop Property list at the end of the bond string
protected int	ringId Id of ring atom belongs to (0 means atom is not in a ring)
static int	SINGLE Single bond type
static int	TRIPLE Triple bond type
protected int	type Bond type
static int	WEDGE Wedge up bond type

Constructor Summary

Bond()
Default constructor

Bond(Atom from, Atom to, int btype)
Constructor without Properties

Bond(Bond b)
Copy constructor

Bond(int id, int type, Atom from, Atom to, int ringId)
Constructor without properties

Bond(int id, int type, Atom from, Atom to, int ringId, java.util.Properties prop)
Full constructor

Method Summary

boolean	equals(Bond b) Compares this bond with another
java.util.Properties	getAttributes() Get the actual properties object that holds the attributes
int	getId() Returns id of the bond
PropAttributes	getPropAttributes() Get the encapsluation of the properties object which holds the attributes
int	getRingId() Returns id of the ring which this bond associates with
int	getType() Returns bond type
float	length() Retrun the length of this bond
void	setAttributes(java.util.Properties p) Set the attributes for the bond
void	setId(int id) Set id of the bond
void	setPropAttributes(PropAttributes p) Set the attributes for the bond
void	setRingId(int id) Set id of the ring which this bond associate with
void	setType(int n) Set bond type
java.lang.String	toString() Returns a String representation of bond

Methods inherited from class java.lang.Object

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

Field Detail

SINGLE

public static final int SINGLE

Single bond type

See Also:

Constant Field Values

DOUBLE

public static final int DOUBLE

Double bond type

See Also:

Constant Field Values

TRIPLE

public static final int TRIPLE

Triple bond type

See Also:

Constant Field Values

AROMATIC

public static final int AROMATIC

Aromatic bond type

See Also:

Constant Field Values

WEDGE

public static final int WEDGE

Wedge up bond type

See Also:

Constant Field Values

DASH

public static final int DASH

Wedge down bond type

See Also:

Constant Field Values

ANY

public static final int ANY

Any bond type

See Also:

Constant Field Values

id

protected int id

Bond id

type

protected int type

Bond type

a1

public Atom a1

From and to atoms, respectively

a2

public Atom a2

From and to atoms, respectively

ringId

protected int ringId

Id of ring atom belongs to (0 means atom is not in a ring)

prop

public PropAttributes prop

Property list at the end of the bond string

Constructor Detail

Bond

public Bond(int id,
            int type,
            Atom from,
            Atom to,
            int ringId,
            java.util.Properties prop)

Full constructor

Parameters:

id - bond id

type - bond type

from - from atom

to - to atom

ringId - id of ring atom belongs to (0 means atom is not in a ring)

prop - properties of the bond, (string pairs on the end)

Bond

public Bond(Atom from,
            Atom to,
            int btype)

Constructor without Properties

Parameters:

type - bond type

from - from atom

to - to atom

Bond

public Bond(int id,
            int type,
            Atom from,
            Atom to,
            int ringId)

Constructor without properties

Parameters:

id - bond id

type - bond type

from - from atom

to - to atom

ringId - id of ring atom belongs to (0 means atom is not in a ring)

Bond

public Bond()

Default constructor

Bond

public Bond(Bond b)

Copy constructor

Parameters:

b - bond to be copied

Method Detail

setType

public void setType(int n)
             throws java.lang.IllegalArgumentException

Set bond type

Parameters:

n - bond type

Throws:

java.lang.IllegalArgumentException - if illegal bond type

See Also:

getType()

getType

public int getType()

Returns bond type

See Also:

setType(int)

equals

public boolean equals(Bond b)

Compares this bond with another

Parameters:

b - bond to compare with

Returns:

true if bonds are equal, else false

toString

public java.lang.String toString()

Returns a String representation of bond

Overrides:

toString in class java.lang.Object

length

public float length()

Retrun the length of this bond

Returns:

the length of this bond

getAttributes

public java.util.Properties getAttributes()

Get the actual properties object that holds the attributes

Specified by:

getAttributes in interface PropAttributesInter

Returns:

DOCUMENT ME!

getPropAttributes

public PropAttributes getPropAttributes()

Get the encapsluation of the properties object which holds the attributes

Specified by:

getPropAttributes in interface PropAttributesInter

Returns:

DOCUMENT ME!

setAttributes

public void setAttributes(java.util.Properties p)

Set the attributes for the bond

Specified by:

setAttributes in interface PropAttributesInter

Parameters:

p - Property for the bond

setPropAttributes

public void setPropAttributes(PropAttributes p)

Set the attributes for the bond

Specified by:

setPropAttributes in interface PropAttributesInter

Parameters:

p - Property for the bond

getId

public int getId()

Returns id of the bond

getRingId

public int getRingId()

Returns id of the ring which this bond associates with

setId

public void setId(int id)

Set id of the bond

Parameters:

id - bond id

See Also:

getId()

setRingId

public void setRingId(int id)

Set id of the ring which this bond associate with

Parameters:

id - ring id

See Also:

getRingId()