org.jmol.smiles

Class SmilesMolecule

public class SmilesMolecule extends Object

Molecule created from a SMILES String
Field Summary
SmilesAtom[]atoms
intatomsCount
SmilesBond[]bonds
intbondsCount
static intINITIAL_ATOMS
static intINITIAL_BONDS
Constructor Summary
SmilesMolecule()
SmilesMolecule constructor
Method Summary
SmilesAtomcreateAtom()
SmilesBondcreateBond(SmilesAtom atom1, SmilesAtom atom2, int bondType)
SmilesAtomgetAtom(int number)
intgetAtomsCount()
SmilesBondgetBond(int number)
intgetBondsCount()

Field Detail

atoms

private SmilesAtom[] atoms

atomsCount

private int atomsCount

bonds

private SmilesBond[] bonds

bondsCount

private int bondsCount

INITIAL_ATOMS

private static final int INITIAL_ATOMS

INITIAL_BONDS

private static final int INITIAL_BONDS

Constructor Detail

SmilesMolecule

public SmilesMolecule()
SmilesMolecule constructor

Method Detail

createAtom

public SmilesAtom createAtom()

createBond

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

getAtom

public SmilesAtom getAtom(int number)

getAtomsCount

public int getAtomsCount()

getBond

public SmilesBond getBond(int number)

getBondsCount

public int getBondsCount()