org.jmol.smiles

Class SmilesBond

public class SmilesBond extends Object

Bond in a SmilesMolecule
Field Summary
SmilesAtomatom1
SmilesAtomatom2
intbondType
static charCODE_AROMATIC
static charCODE_DIRECTIONAL_1
static charCODE_DIRECTIONAL_2
static charCODE_DOUBLE
static charCODE_NONE
static charCODE_SINGLE
static charCODE_TRIPLE
static intTYPE_AROMATIC
static intTYPE_DIRECTIONAL_1
static intTYPE_DIRECTIONAL_2
static intTYPE_DOUBLE
static intTYPE_NONE
static intTYPE_SINGLE
static intTYPE_TRIPLE
static intTYPE_UNKOWN
Constructor Summary
SmilesBond(SmilesAtom atom1, SmilesAtom atom2, int bondType)
SmilesBond constructor
Method Summary
SmilesAtomgetAtom1()
SmilesAtomgetAtom2()
intgetBondType()
static intgetBondTypeFromCode(char code)
voidsetAtom1(SmilesAtom atom)
voidsetAtom2(SmilesAtom atom)
voidsetBondType(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)