--- trunk/src/applications/staticProps/StaticPropsCmd.c 2007/04/11 23:27:20 1128 +++ trunk/src/applications/staticProps/StaticPropsCmd.c 2007/09/17 20:05:51 1180 @@ -1,7 +1,7 @@ /* File autogenerated by gengetopt version 2.19.1 generated with the following command: - gengetopt -i StaticProps.ggo -F StaticPropsCmd -u + gengetopt --file-name=StaticPropsCmd -u The developers of gengetopt consider the fixed text that goes in all gengetopt output files to be in the public domain: @@ -51,6 +51,7 @@ const char *gengetopt_args_info_help[] = { "\n Group: staticProps\n an option of this group is required", " --bo bond order parameter (--rcut must be specified)", " --bor bond order parameter as a function of radius \n (--rcut must be specified)", + " --bad N(theta) bond angle density within (--rcut must \n be specified)", " -g, --gofr g(r)", " --r_theta g(r, cos(theta))", " --r_omega g(r, cos(omega))", @@ -63,6 +64,7 @@ const char *gengetopt_args_info_help[] = { " --slab_density slab density", " --hxy hxy", " --rho_r rho of R", + " --hullvol hull volume of nanoparticle", 0 }; @@ -105,6 +107,7 @@ void clear_given (struct gengetopt_args_info *args_inf args_info->radius_given = 0 ; args_info->bo_given = 0 ; args_info->bor_given = 0 ; + args_info->bad_given = 0 ; args_info->gofr_given = 0 ; args_info->r_theta_given = 0 ; args_info->r_omega_given = 0 ; @@ -117,6 +120,7 @@ void clear_given (struct gengetopt_args_info *args_inf args_info->slab_density_given = 0 ; args_info->hxy_given = 0 ; args_info->rho_r_given = 0 ; + args_info->hullvol_given = 0 ; args_info->staticProps_group_counter = 0 ; } @@ -182,18 +186,20 @@ void init_args_info(struct gengetopt_args_info *args_i args_info->radius_help = gengetopt_args_info_help[19] ; args_info->bo_help = gengetopt_args_info_help[20] ; args_info->bor_help = gengetopt_args_info_help[21] ; - args_info->gofr_help = gengetopt_args_info_help[22] ; - args_info->r_theta_help = gengetopt_args_info_help[23] ; - args_info->r_omega_help = gengetopt_args_info_help[24] ; - args_info->theta_omega_help = gengetopt_args_info_help[25] ; - args_info->gxyz_help = gengetopt_args_info_help[26] ; - args_info->p2_help = gengetopt_args_info_help[27] ; - args_info->rp2_help = gengetopt_args_info_help[28] ; - args_info->scd_help = gengetopt_args_info_help[29] ; - args_info->density_help = gengetopt_args_info_help[30] ; - args_info->slab_density_help = gengetopt_args_info_help[31] ; - args_info->hxy_help = gengetopt_args_info_help[32] ; - args_info->rho_r_help = gengetopt_args_info_help[33] ; + args_info->bad_help = gengetopt_args_info_help[22] ; + args_info->gofr_help = gengetopt_args_info_help[23] ; + args_info->r_theta_help = gengetopt_args_info_help[24] ; + args_info->r_omega_help = gengetopt_args_info_help[25] ; + args_info->theta_omega_help = gengetopt_args_info_help[26] ; + args_info->gxyz_help = gengetopt_args_info_help[27] ; + args_info->p2_help = gengetopt_args_info_help[28] ; + args_info->rp2_help = gengetopt_args_info_help[29] ; + args_info->scd_help = gengetopt_args_info_help[30] ; + args_info->density_help = gengetopt_args_info_help[31] ; + args_info->slab_density_help = gengetopt_args_info_help[32] ; + args_info->hxy_help = gengetopt_args_info_help[33] ; + args_info->rho_r_help = gengetopt_args_info_help[34] ; + args_info->hullvol_help = gengetopt_args_info_help[35] ; } @@ -523,6 +529,9 @@ cmdline_parser_file_save(const char *filename, struct } if (args_info->bor_given) { fprintf(outfile, "%s\n", "bor"); + } + if (args_info->bad_given) { + fprintf(outfile, "%s\n", "bad"); } if (args_info->gofr_given) { fprintf(outfile, "%s\n", "gofr"); @@ -559,6 +568,9 @@ cmdline_parser_file_save(const char *filename, struct } if (args_info->rho_r_given) { fprintf(outfile, "%s\n", "rho_r"); + } + if (args_info->hullvol_given) { + fprintf(outfile, "%s\n", "hullvol"); } fclose (outfile); @@ -601,6 +613,7 @@ reset_group_staticProps(struct gengetopt_args_info *ar args_info->bo_given = 0 ; args_info->bor_given = 0 ; + args_info->bad_given = 0 ; args_info->gofr_given = 0 ; args_info->r_theta_given = 0 ; args_info->r_omega_given = 0 ; @@ -613,6 +626,7 @@ reset_group_staticProps(struct gengetopt_args_info *ar args_info->slab_density_given = 0 ; args_info->hxy_given = 0 ; args_info->rho_r_given = 0 ; + args_info->hullvol_given = 0 ; args_info->staticProps_group_counter = 0; } @@ -726,6 +740,7 @@ cmdline_parser_internal (int argc, char * const *argv, { "radius", 1, NULL, 0 }, { "bo", 0, NULL, 0 }, { "bor", 0, NULL, 0 }, + { "bad", 0, NULL, 0 }, { "gofr", 0, NULL, 'g' }, { "r_theta", 0, NULL, 0 }, { "r_omega", 0, NULL, 0 }, @@ -738,6 +753,7 @@ cmdline_parser_internal (int argc, char * const *argv, { "slab_density", 0, NULL, 0 }, { "hxy", 0, NULL, 0 }, { "rho_r", 0, NULL, 0 }, + { "hullvol", 0, NULL, 0 }, { NULL, 0, NULL, 0 } }; @@ -1204,6 +1220,23 @@ cmdline_parser_internal (int argc, char * const *argv, continue; local_args_info.bor_given = 1; args_info->bor_given = 1; + if (args_info->staticProps_group_counter && override) + reset_group_staticProps (args_info); + args_info->staticProps_group_counter += 1; + break; + } + /* N(theta) bond angle density within (--rcut must be specified). */ + else if (strcmp (long_options[option_index].name, "bad") == 0) + { + if (local_args_info.bad_given) + { + fprintf (stderr, "%s: `--bad' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); + goto failure; + } + if (args_info->bad_given && ! override) + continue; + local_args_info.bad_given = 1; + args_info->bad_given = 1; if (args_info->staticProps_group_counter && override) reset_group_staticProps (args_info); args_info->staticProps_group_counter += 1; @@ -1345,6 +1378,23 @@ cmdline_parser_internal (int argc, char * const *argv, args_info->staticProps_group_counter += 1; break; } + /* hull volume of nanoparticle. */ + else if (strcmp (long_options[option_index].name, "hullvol") == 0) + { + if (local_args_info.hullvol_given) + { + fprintf (stderr, "%s: `--hullvol' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); + goto failure; + } + if (args_info->hullvol_given && ! override) + continue; + local_args_info.hullvol_given = 1; + args_info->hullvol_given = 1; + if (args_info->staticProps_group_counter && override) + reset_group_staticProps (args_info); + args_info->staticProps_group_counter += 1; + break; + } break; case '?': /* Invalid option. */