org.jmol.smiles
public class SmilesMolecule extends Object
Field Summary | |
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SmilesAtom[] | atoms |
int | atomsCount |
SmilesBond[] | bonds |
int | bondsCount |
static int | INITIAL_ATOMS |
static int | INITIAL_BONDS |
Constructor Summary | |
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SmilesMolecule()
SmilesMolecule constructor |
Method Summary | |
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SmilesAtom | createAtom() |
SmilesBond | createBond(SmilesAtom atom1, SmilesAtom atom2, int bondType) |
SmilesAtom | getAtom(int number) |
int | getAtomsCount() |
SmilesBond | getBond(int number) |
int | getBondsCount() |