public void writeAtomContainer(IAtomContainer molecule) {
        SmilesGenerator sg = new SmilesGenerator();
        if (useAromaticityFlag.isSet()) sg = sg.aromatic();
        String smiles = "";
        try {
            smiles = sg.create(molecule);
            logger.debug("Generated SMILES: " + smiles);
            writer.write(smiles);
            writer.write('\n');
            writer.flush();
            logger.debug("file flushed...");
        } catch (CDKException | IOException exc) {
            logger.error("Error while writing Molecule: ", exc.getMessage());
            logger.debug(exc);
        }
    }
public void writeAtomContainer ( IAtomContainer molecule ) { SmilesGenerator sg = new SmilesGenerator ( ) ; if ( useAromaticityFlag . isSet ( ) ) sg = sg . aromatic ( ) ; String smiles = "" ; try { smiles = sg . create ( molecule ) ; logger . debug ( "Generated SMILES: " + smiles ) ; writer . write ( smiles ) ; writer . write ( '\n' ) ; writer . flush ( ) ; logger . debug ( "file flushed..." ) ; } catch ( CDKException | IOException exc ) { logger . error ( "Error while writing Molecule: " , exc . getMessage ( ) ) ; logger . debug ( exc ) ; } }
Writes the content from molecule to output.

@param   molecule  Molecule of which the data is given as output.