org.jmol.smiles

Class SmilesBond

public class SmilesBond extends Object

Bond in a SmilesMolecule

Field Summary
SmilesAtom	atom1
SmilesAtom	atom2
int	bondType
static char	CODE_AROMATIC
static char	CODE_DIRECTIONAL_1
static char	CODE_DIRECTIONAL_2
static char	CODE_DOUBLE
static char	CODE_NONE
static char	CODE_SINGLE
static char	CODE_TRIPLE
static int	TYPE_AROMATIC
static int	TYPE_DIRECTIONAL_1
static int	TYPE_DIRECTIONAL_2
static int	TYPE_DOUBLE
static int	TYPE_NONE
static int	TYPE_SINGLE
static int	TYPE_TRIPLE
static int	TYPE_UNKOWN

Constructor Summary
	SmilesBond(SmilesAtom atom1, SmilesAtom atom2, int bondType) SmilesBond constructor

Method Summary
SmilesAtom	getAtom1()
SmilesAtom	getAtom2()
int	getBondType()
static int	getBondTypeFromCode(char code)
void	setAtom1(SmilesAtom atom)
void	setAtom2(SmilesAtom atom)
void	setBondType(int bondType)

Field Detail

atom1

private SmilesAtom atom1

atom2

private SmilesAtom atom2

bondType

private int bondType

CODE_AROMATIC

public static final char CODE_AROMATIC

CODE_DIRECTIONAL_1

public static final char CODE_DIRECTIONAL_1

CODE_DIRECTIONAL_2

public static final char CODE_DIRECTIONAL_2

CODE_DOUBLE

public static final char CODE_DOUBLE

CODE_NONE

public static final char CODE_NONE

CODE_SINGLE

public static final char CODE_SINGLE

CODE_TRIPLE

public static final char CODE_TRIPLE

TYPE_AROMATIC

public static final int TYPE_AROMATIC

TYPE_DIRECTIONAL_1

public static final int TYPE_DIRECTIONAL_1

TYPE_DIRECTIONAL_2

public static final int TYPE_DIRECTIONAL_2

TYPE_DOUBLE

public static final int TYPE_DOUBLE

TYPE_NONE

public static final int TYPE_NONE

TYPE_SINGLE

public static final int TYPE_SINGLE

TYPE_TRIPLE

public static final int TYPE_TRIPLE

TYPE_UNKOWN

public static final int TYPE_UNKOWN

Constructor Detail

SmilesBond

public SmilesBond(SmilesAtom atom1, SmilesAtom atom2, int bondType)

SmilesBond constructor

Parameters: atom1 First atom atom2 Second atom bondType Bond type

Method Detail

getAtom1

public SmilesAtom getAtom1()

getAtom2

public SmilesAtom getAtom2()

getBondType

public int getBondType()

getBondTypeFromCode

public static int getBondTypeFromCode(char code)

Parameters: code Bond code

Returns: Bond type

setAtom1

public void setAtom1(SmilesAtom atom)

setAtom2

public void setAtom2(SmilesAtom atom)

setBondType

public void setBondType(int bondType)