private IAtomContainer readSmiles ( final String line ) { try { return sp . parseSmiles ( line ) ; } catch ( CDKException e ) { logger . error ( "Error while reading the SMILES from: " + line + ", " , e ) ; final IAtomContainer empty = builder . newInstance ( IAtomContainer . class , 0 , 0 , 0 , 0 ) ; empty . setProperty ( BAD_SMILES_INPUT , line ) ; return empty ; } }
Read the SMILES given in the input line - or return an empty container .