--- trunk/SHAPES/shaperCmd.h 2004/06/26 15:32:12 1312 +++ trunk/SHAPES/shaperCmd.h 2004/07/20 20:02:15 1360 @@ -24,13 +24,11 @@ struct gengetopt_args_info struct gengetopt_args_info { - char * input_arg; /* input file name. */ int bandwidth_arg; /* The step detail for the potential grids - typically a power of 2 (default='8'). */ double tolerance_arg; /* The tolerance for recognition of spherical harmonic terms (default='0.01'). */ int help_given ; /* Whether help was given. */ int version_given ; /* Whether version was given. */ - int input_given ; /* Whether input was given. */ int bandwidth_given ; /* Whether bandwidth was given. */ int tolerance_given ; /* Whether tolerance was given. */ int charmm_given ; /* Whether charmm was given. */ @@ -39,6 +37,8 @@ struct gengetopt_args_info int gaff_given ; /* Whether gaff was given. */ int opls_given ; /* Whether opls was given. */ + char **inputs ; /* unamed options */ + unsigned inputs_num ; /* unamed options number */ int ForceField_group_counter; /* counter for group ForceField */ } ;