| 1 |  | /* | 
| 2 |  | File autogenerated by gengetopt version 2.19.1 | 
| 3 |  | generated with the following command: | 
| 4 | < | gengetopt -i StaticProps.ggo -F StaticPropsCmd -u | 
| 4 | > | gengetopt --file-name=StaticPropsCmd -u | 
| 5 |  |  | 
| 6 |  | The developers of gengetopt consider the fixed text that goes in all | 
| 7 |  | gengetopt output files to be in the public domain: | 
| 51 |  | "\n Group: staticProps\n   an option of this group is required", | 
| 52 |  | "      --bo                      bond order parameter (--rcut must be specified)", | 
| 53 |  | "      --bor                     bond order parameter as a function of radius \n                                  (--rcut must be specified)", | 
| 54 | + | "      --bad                     N(theta) bond angle density within (--rcut must \n                                  be specified)", | 
| 55 |  | "  -g, --gofr                    g(r)", | 
| 56 | + | "      --gofz                    g(z)", | 
| 57 |  | "      --r_theta                 g(r, cos(theta))", | 
| 58 |  | "      --r_omega                 g(r, cos(omega))", | 
| 59 |  | "      --theta_omega             g(cos(theta), cos(omega))", | 
| 65 |  | "      --slab_density            slab density", | 
| 66 |  | "      --hxy                     hxy", | 
| 67 |  | "      --rho_r                   rho of R", | 
| 68 | + | "      --hullvol                 hull volume of nanoparticle", | 
| 69 |  | 0 | 
| 70 |  | }; | 
| 71 |  |  | 
| 108 |  | args_info->radius_given = 0 ; | 
| 109 |  | args_info->bo_given = 0 ; | 
| 110 |  | args_info->bor_given = 0 ; | 
| 111 | + | args_info->bad_given = 0 ; | 
| 112 |  | args_info->gofr_given = 0 ; | 
| 113 | + | args_info->gofz_given = 0 ; | 
| 114 |  | args_info->r_theta_given = 0 ; | 
| 115 |  | args_info->r_omega_given = 0 ; | 
| 116 |  | args_info->theta_omega_given = 0 ; | 
| 122 |  | args_info->slab_density_given = 0 ; | 
| 123 |  | args_info->hxy_given = 0 ; | 
| 124 |  | args_info->rho_r_given = 0 ; | 
| 125 | + | args_info->hullvol_given = 0 ; | 
| 126 |  | args_info->staticProps_group_counter = 0 ; | 
| 127 |  | } | 
| 128 |  |  | 
| 188 |  | args_info->radius_help = gengetopt_args_info_help[19] ; | 
| 189 |  | args_info->bo_help = gengetopt_args_info_help[20] ; | 
| 190 |  | args_info->bor_help = gengetopt_args_info_help[21] ; | 
| 191 | < | args_info->gofr_help = gengetopt_args_info_help[22] ; | 
| 192 | < | args_info->r_theta_help = gengetopt_args_info_help[23] ; | 
| 193 | < | args_info->r_omega_help = gengetopt_args_info_help[24] ; | 
| 194 | < | args_info->theta_omega_help = gengetopt_args_info_help[25] ; | 
| 195 | < | args_info->gxyz_help = gengetopt_args_info_help[26] ; | 
| 196 | < | args_info->p2_help = gengetopt_args_info_help[27] ; | 
| 197 | < | args_info->rp2_help = gengetopt_args_info_help[28] ; | 
| 198 | < | args_info->scd_help = gengetopt_args_info_help[29] ; | 
| 199 | < | args_info->density_help = gengetopt_args_info_help[30] ; | 
| 200 | < | args_info->slab_density_help = gengetopt_args_info_help[31] ; | 
| 201 | < | args_info->hxy_help = gengetopt_args_info_help[32] ; | 
| 202 | < | args_info->rho_r_help = gengetopt_args_info_help[33] ; | 
| 191 | > | args_info->bad_help = gengetopt_args_info_help[22] ; | 
| 192 | > | args_info->gofr_help = gengetopt_args_info_help[23] ; | 
| 193 | > | args_info->gofz_help = gengetopt_args_info_help[24] ; | 
| 194 | > | args_info->r_theta_help = gengetopt_args_info_help[25] ; | 
| 195 | > | args_info->r_omega_help = gengetopt_args_info_help[26] ; | 
| 196 | > | args_info->theta_omega_help = gengetopt_args_info_help[27] ; | 
| 197 | > | args_info->gxyz_help = gengetopt_args_info_help[28] ; | 
| 198 | > | args_info->p2_help = gengetopt_args_info_help[29] ; | 
| 199 | > | args_info->rp2_help = gengetopt_args_info_help[30] ; | 
| 200 | > | args_info->scd_help = gengetopt_args_info_help[31] ; | 
| 201 | > | args_info->density_help = gengetopt_args_info_help[32] ; | 
| 202 | > | args_info->slab_density_help = gengetopt_args_info_help[33] ; | 
| 203 | > | args_info->hxy_help = gengetopt_args_info_help[34] ; | 
| 204 | > | args_info->rho_r_help = gengetopt_args_info_help[35] ; | 
| 205 | > | args_info->hullvol_help = gengetopt_args_info_help[36] ; | 
| 206 |  |  | 
| 207 |  | } | 
| 208 |  |  | 
| 532 |  | } | 
| 533 |  | if (args_info->bor_given) { | 
| 534 |  | fprintf(outfile, "%s\n", "bor"); | 
| 535 | + | } | 
| 536 | + | if (args_info->bad_given) { | 
| 537 | + | fprintf(outfile, "%s\n", "bad"); | 
| 538 |  | } | 
| 539 |  | if (args_info->gofr_given) { | 
| 540 |  | fprintf(outfile, "%s\n", "gofr"); | 
| 541 |  | } | 
| 542 | + | if (args_info->gofz_given) { | 
| 543 | + | fprintf(outfile, "%s\n", "gofz"); | 
| 544 | + | } | 
| 545 |  | if (args_info->r_theta_given) { | 
| 546 |  | fprintf(outfile, "%s\n", "r_theta"); | 
| 547 |  | } | 
| 574 |  | } | 
| 575 |  | if (args_info->rho_r_given) { | 
| 576 |  | fprintf(outfile, "%s\n", "rho_r"); | 
| 577 | + | } | 
| 578 | + | if (args_info->hullvol_given) { | 
| 579 | + | fprintf(outfile, "%s\n", "hullvol"); | 
| 580 |  | } | 
| 581 |  |  | 
| 582 |  | fclose (outfile); | 
| 619 |  |  | 
| 620 |  | args_info->bo_given = 0 ; | 
| 621 |  | args_info->bor_given = 0 ; | 
| 622 | + | args_info->bad_given = 0 ; | 
| 623 |  | args_info->gofr_given = 0 ; | 
| 624 | + | args_info->gofz_given = 0 ; | 
| 625 |  | args_info->r_theta_given = 0 ; | 
| 626 |  | args_info->r_omega_given = 0 ; | 
| 627 |  | args_info->theta_omega_given = 0 ; | 
| 633 |  | args_info->slab_density_given = 0 ; | 
| 634 |  | args_info->hxy_given = 0 ; | 
| 635 |  | args_info->rho_r_given = 0 ; | 
| 636 | + | args_info->hullvol_given = 0 ; | 
| 637 |  |  | 
| 638 |  | args_info->staticProps_group_counter = 0; | 
| 639 |  | } | 
| 747 |  | { "radius",     1, NULL, 0 }, | 
| 748 |  | { "bo", 0, NULL, 0 }, | 
| 749 |  | { "bor",        0, NULL, 0 }, | 
| 750 | + | { "bad",        0, NULL, 0 }, | 
| 751 |  | { "gofr",       0, NULL, 'g' }, | 
| 752 | + | { "gofz",       0, NULL, 0 }, | 
| 753 |  | { "r_theta",    0, NULL, 0 }, | 
| 754 |  | { "r_omega",    0, NULL, 0 }, | 
| 755 |  | { "theta_omega",        0, NULL, 0 }, | 
| 761 |  | { "slab_density",       0, NULL, 0 }, | 
| 762 |  | { "hxy",        0, NULL, 0 }, | 
| 763 |  | { "rho_r",      0, NULL, 0 }, | 
| 764 | + | { "hullvol",    0, NULL, 0 }, | 
| 765 |  | { NULL, 0, NULL, 0 } | 
| 766 |  | }; | 
| 767 |  |  | 
| 1233 |  | args_info->staticProps_group_counter += 1; | 
| 1234 |  | break; | 
| 1235 |  | } | 
| 1236 | + | /* N(theta) bond angle density within (--rcut must be specified).  */ | 
| 1237 | + | else if (strcmp (long_options[option_index].name, "bad") == 0) | 
| 1238 | + | { | 
| 1239 | + | if (local_args_info.bad_given) | 
| 1240 | + | { | 
| 1241 | + | fprintf (stderr, "%s: `--bad' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); | 
| 1242 | + | goto failure; | 
| 1243 | + | } | 
| 1244 | + | if (args_info->bad_given && ! override) | 
| 1245 | + | continue; | 
| 1246 | + | local_args_info.bad_given = 1; | 
| 1247 | + | args_info->bad_given = 1; | 
| 1248 | + | if (args_info->staticProps_group_counter && override) | 
| 1249 | + | reset_group_staticProps (args_info); | 
| 1250 | + | args_info->staticProps_group_counter += 1; | 
| 1251 | + | break; | 
| 1252 | + | } | 
| 1253 | + | /* g(z).  */ | 
| 1254 | + | else if (strcmp (long_options[option_index].name, "gofz") == 0) | 
| 1255 | + | { | 
| 1256 | + | if (local_args_info.gofz_given) | 
| 1257 | + | { | 
| 1258 | + | fprintf (stderr, "%s: `--gofz' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); | 
| 1259 | + | goto failure; | 
| 1260 | + | } | 
| 1261 | + | if (args_info->gofz_given && ! override) | 
| 1262 | + | continue; | 
| 1263 | + | local_args_info.gofz_given = 1; | 
| 1264 | + | args_info->gofz_given = 1; | 
| 1265 | + | if (args_info->staticProps_group_counter && override) | 
| 1266 | + | reset_group_staticProps (args_info); | 
| 1267 | + | args_info->staticProps_group_counter += 1; | 
| 1268 | + | break; | 
| 1269 | + | } | 
| 1270 |  | /* g(r, cos(theta)).  */ | 
| 1271 |  | else if (strcmp (long_options[option_index].name, "r_theta") == 0) | 
| 1272 |  | { | 
| 1403 |  | args_info->staticProps_group_counter += 1; | 
| 1404 |  | break; | 
| 1405 |  | } | 
| 1406 | + | /* hull volume of nanoparticle.  */ | 
| 1407 | + | else if (strcmp (long_options[option_index].name, "hullvol") == 0) | 
| 1408 | + | { | 
| 1409 | + | if (local_args_info.hullvol_given) | 
| 1410 | + | { | 
| 1411 | + | fprintf (stderr, "%s: `--hullvol' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); | 
| 1412 | + | goto failure; | 
| 1413 | + | } | 
| 1414 | + | if (args_info->hullvol_given && ! override) | 
| 1415 | + | continue; | 
| 1416 | + | local_args_info.hullvol_given = 1; | 
| 1417 | + | args_info->hullvol_given = 1; | 
| 1418 | + | if (args_info->staticProps_group_counter && override) | 
| 1419 | + | reset_group_staticProps (args_info); | 
| 1420 | + | args_info->staticProps_group_counter += 1; | 
| 1421 | + | break; | 
| 1422 | + | } | 
| 1423 |  |  | 
| 1424 |  | break; | 
| 1425 |  | case '?':       /* Invalid option.  */ |