org.jmol.smiles
Class SmilesBond

java.lang.Object
  org.jmol.smiles.SmilesBond

public class SmilesBond
extends java.lang.Object

Bond in a SmilesMolecule

Field Summary

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)

Methods inherited from class java.lang.Object

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

Field Detail

TYPE_UNKOWN

public static final int TYPE_UNKOWN

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Constant Field Values

TYPE_NONE

public static final int TYPE_NONE

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Constant Field Values

TYPE_SINGLE

public static final int TYPE_SINGLE

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Constant Field Values

TYPE_DOUBLE

public static final int TYPE_DOUBLE

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Constant Field Values

TYPE_TRIPLE

public static final int TYPE_TRIPLE

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Constant Field Values

TYPE_AROMATIC

public static final int TYPE_AROMATIC

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Constant Field Values

TYPE_DIRECTIONAL_1

public static final int TYPE_DIRECTIONAL_1

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Constant Field Values

TYPE_DIRECTIONAL_2

public static final int TYPE_DIRECTIONAL_2

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Constant Field Values

CODE_NONE

public static final char CODE_NONE

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Constant Field Values

CODE_SINGLE

public static final char CODE_SINGLE

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Constant Field Values

CODE_DOUBLE

public static final char CODE_DOUBLE

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Constant Field Values

CODE_TRIPLE

public static final char CODE_TRIPLE

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Constant Field Values

CODE_AROMATIC

public static final char CODE_AROMATIC

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Constant Field Values

CODE_DIRECTIONAL_1

public static final char CODE_DIRECTIONAL_1

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Constant Field Values

CODE_DIRECTIONAL_2

public static final char CODE_DIRECTIONAL_2

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Constant Field Values

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

getBondTypeFromCode

public static int getBondTypeFromCode(char code)

Parameters:

code - Bond code

Returns:

Bond type

getAtom1

public SmilesAtom getAtom1()

setAtom1

public void setAtom1(SmilesAtom atom)

getAtom2

public SmilesAtom getAtom2()

setAtom2

public void setAtom2(SmilesAtom atom)

getBondType

public int getBondType()

setBondType

public void setBondType(int bondType)