--- trunk/src/applications/staticProps/StaticPropsCmd.cpp 2014/04/29 17:32:31 1993 +++ trunk/src/applications/staticProps/StaticPropsCmd.cpp 2014/04/30 18:50:45 1994 @@ -92,7 +92,7 @@ const char *gengetopt_args_info_help[] = { " --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)", - " --uFreqMap electrostatic potential to frequency map based \n on the Cho nitrile fits", + " --nitrile electrostatic potential to frequency map based \n on the Cho nitrile fits", 0 }; @@ -175,7 +175,7 @@ void clear_given (struct gengetopt_args_info *args_inf args_info->rnemdz_given = 0 ; args_info->rnemdr_given = 0 ; args_info->rnemdrt_given = 0 ; - args_info->uFreqMap_given = 0 ; + args_info->nitrile_given = 0 ; args_info->staticProps_group_counter = 0 ; } @@ -285,7 +285,7 @@ void init_args_info(struct gengetopt_args_info *args_i args_info->rnemdz_help = gengetopt_args_info_help[53] ; args_info->rnemdr_help = gengetopt_args_info_help[54] ; args_info->rnemdrt_help = gengetopt_args_info_help[55] ; - args_info->uFreqMap_help = gengetopt_args_info_help[56] ; + args_info->nitrile_help = gengetopt_args_info_help[56] ; } @@ -546,8 +546,8 @@ cmdline_parser_dump(FILE *outfile, struct gengetopt_ar write_into_file(outfile, "rnemdr", 0, 0 ); if (args_info->rnemdrt_given) write_into_file(outfile, "rnemdrt", 0, 0 ); - if (args_info->uFreqMap_given) - write_into_file(outfile, "uFreqMap", 0, 0 ); + if (args_info->nitrile_given) + write_into_file(outfile, "nitrile", 0, 0 ); i = EXIT_SUCCESS; @@ -630,7 +630,7 @@ reset_group_staticProps(struct gengetopt_args_info *ar args_info->rnemdz_given = 0 ; args_info->rnemdr_given = 0 ; args_info->rnemdrt_given = 0 ; - args_info->uFreqMap_given = 0 ; + args_info->nitrile_given = 0 ; args_info->staticProps_group_counter = 0; } @@ -931,7 +931,7 @@ cmdline_parser_internal ( { "rnemdz", 0, NULL, 0 }, { "rnemdr", 0, NULL, 0 }, { "rnemdrt", 0, NULL, 0 }, - { "uFreqMap", 0, NULL, 0 }, + { "nitrile", 0, NULL, 0 }, { 0, 0, 0, 0 } }; @@ -1755,7 +1755,7 @@ cmdline_parser_internal ( } /* electrostatic potential to frequency map based on the Cho nitrile fits. */ - else if (strcmp (long_options[option_index].name, "uFreqMap") == 0) + else if (strcmp (long_options[option_index].name, "nitrile") == 0) { if (args_info->staticProps_group_counter && override) @@ -1763,10 +1763,10 @@ cmdline_parser_internal ( args_info->staticProps_group_counter += 1; if (update_arg( 0 , - 0 , &(args_info->uFreqMap_given), - &(local_args_info.uFreqMap_given), optarg, 0, 0, ARG_NO, + 0 , &(args_info->nitrile_given), + &(local_args_info.nitrile_given), optarg, 0, 0, ARG_NO, check_ambiguity, override, 0, 0, - "uFreqMap", '-', + "nitrile", '-', additional_error)) goto failure;