--- trunk/src/applications/staticProps/StaticPropsCmd.cpp 2013/06/16 15:15:42 1879 +++ trunk/src/applications/staticProps/StaticPropsCmd.cpp 2013/12/05 18:19:26 1953 @@ -89,6 +89,7 @@ const char *gengetopt_args_info_help[] = { " --tet_param_z spatially-resolved tetrahedrality order \n parameter Qk(z)", " --rnemdz slab-resolved RNEMD statistics (temperature, \n density, velocity)", " --rnemdr shell-resolved RNEMD statistics (temperature, \n density, angular velocity)", + " --rnemdrt shell and angle-resolved RNEMD statistics \n (temperature, density, angular velocity)", 0 }; @@ -168,6 +169,7 @@ void clear_given (struct gengetopt_args_info *args_inf args_info->tet_param_z_given = 0 ; args_info->rnemdz_given = 0 ; args_info->rnemdr_given = 0 ; + args_info->rnemdrt_given = 0 ; args_info->staticProps_group_counter = 0 ; } @@ -273,6 +275,7 @@ void init_args_info(struct gengetopt_args_info *args_i args_info->tet_param_z_help = gengetopt_args_info_help[50] ; args_info->rnemdz_help = gengetopt_args_info_help[51] ; args_info->rnemdr_help = gengetopt_args_info_help[52] ; + args_info->rnemdrt_help = gengetopt_args_info_help[53] ; } @@ -526,6 +529,8 @@ cmdline_parser_dump(FILE *outfile, struct gengetopt_ar write_into_file(outfile, "rnemdz", 0, 0 ); if (args_info->rnemdr_given) write_into_file(outfile, "rnemdr", 0, 0 ); + if (args_info->rnemdrt_given) + write_into_file(outfile, "rnemdrt", 0, 0 ); i = EXIT_SUCCESS; @@ -606,6 +611,7 @@ reset_group_staticProps(struct gengetopt_args_info *ar args_info->tet_param_z_given = 0 ; args_info->rnemdz_given = 0 ; args_info->rnemdr_given = 0 ; + args_info->rnemdrt_given = 0 ; args_info->staticProps_group_counter = 0; } @@ -903,6 +909,7 @@ cmdline_parser_internal ( { "tet_param_z", 0, NULL, 0 }, { "rnemdz", 0, NULL, 0 }, { "rnemdr", 0, NULL, 0 }, + { "rnemdrt", 0, NULL, 0 }, { 0, 0, 0, 0 } }; @@ -1673,6 +1680,23 @@ cmdline_parser_internal ( &(local_args_info.rnemdr_given), optarg, 0, 0, ARG_NO, check_ambiguity, override, 0, 0, "rnemdr", '-', + additional_error)) + goto failure; + + } + /* shell and angle-resolved RNEMD statistics (temperature, density, angular velocity). */ + else if (strcmp (long_options[option_index].name, "rnemdrt") == 0) + { + + if (args_info->staticProps_group_counter && override) + reset_group_staticProps (args_info); + args_info->staticProps_group_counter += 1; + + if (update_arg( 0 , + 0 , &(args_info->rnemdrt_given), + &(local_args_info.rnemdrt_given), optarg, 0, 0, ARG_NO, + check_ambiguity, override, 0, 0, + "rnemdrt", '-', additional_error)) goto failure;