Toolkit Tutorial: Programming

  dt_Handle reaction ;
  dt_String csmi , asmi ;
  dt_Integer clen , alen ;

  /* Read SMILES in. */
  reaction = dt_smilin ( 13 , "O>>[OH-].[H+]" );

  /* Write canonical form. */
  csmi = dt_cansmiles ( & clen , reaction , 0 );
  /* Write abitrary form. */
  asmi = dt_arbsmiles ( & alen , reaction , 0 );

  printf ( "Canonical form is %.*s and arbitrary form is %.*s.\n" ,
      clen , csmi , alen , asmi );