| 1 |  | /* | 
| 2 |  | File autogenerated by gengetopt version 2.22 | 
| 3 |  | generated with the following command: | 
| 4 | < | gengetopt -F StaticPropsCmd | 
| 4 | > | gengetopt -F 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: | 
| 23 |  |  | 
| 24 |  | const char *gengetopt_args_info_purpose = ""; | 
| 25 |  |  | 
| 26 | < | const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]..."; | 
| 26 | > | const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]... [FILES]..."; | 
| 27 |  |  | 
| 28 |  | const char *gengetopt_args_info_description = ""; | 
| 29 |  |  | 
| 64 |  | "  -s, --scd                     scd order parameter (either --sele1, --sele2, \n                                  --sele3 are specified or --molname, --begin, \n                                  --end are specified)", | 
| 65 |  | "  -d, --density                 density plot", | 
| 66 |  | "      --slab_density            slab density", | 
| 67 | + | "      --p_angle                 p(cos(theta))", | 
| 68 |  | "      --hxy                     hxy", | 
| 69 |  | "      --rho_r                   rho of R", | 
| 70 |  | "      --hullvol                 hull volume of nanoparticle", | 
| 130 |  | args_info->scd_given = 0 ; | 
| 131 |  | args_info->density_given = 0 ; | 
| 132 |  | args_info->slab_density_given = 0 ; | 
| 133 | + | args_info->p_angle_given = 0 ; | 
| 134 |  | args_info->hxy_given = 0 ; | 
| 135 |  | args_info->rho_r_given = 0 ; | 
| 136 |  | args_info->hullvol_given = 0 ; | 
| 216 |  | args_info->scd_help = gengetopt_args_info_help[33] ; | 
| 217 |  | args_info->density_help = gengetopt_args_info_help[34] ; | 
| 218 |  | args_info->slab_density_help = gengetopt_args_info_help[35] ; | 
| 219 | < | args_info->hxy_help = gengetopt_args_info_help[36] ; | 
| 220 | < | args_info->rho_r_help = gengetopt_args_info_help[37] ; | 
| 221 | < | args_info->hullvol_help = gengetopt_args_info_help[38] ; | 
| 219 | > | args_info->p_angle_help = gengetopt_args_info_help[36] ; | 
| 220 | > | args_info->hxy_help = gengetopt_args_info_help[37] ; | 
| 221 | > | args_info->rho_r_help = gengetopt_args_info_help[38] ; | 
| 222 | > | args_info->hullvol_help = gengetopt_args_info_help[39] ; | 
| 223 |  |  | 
| 224 |  | } | 
| 225 |  |  | 
| 259 |  | clear_given (args_info); | 
| 260 |  | clear_args (args_info); | 
| 261 |  | init_args_info (args_info); | 
| 262 | + |  | 
| 263 | + | args_info->inputs = NULL; | 
| 264 | + | args_info->inputs_num = 0; | 
| 265 |  | } | 
| 266 |  |  | 
| 267 |  | void | 
| 300 |  | static void | 
| 301 |  | cmdline_parser_release (struct gengetopt_args_info *args_info) | 
| 302 |  | { | 
| 303 | < |  | 
| 303 | > | unsigned int i; | 
| 304 |  | free_string_field (&(args_info->input_arg)); | 
| 305 |  | free_string_field (&(args_info->input_orig)); | 
| 306 |  | free_string_field (&(args_info->output_arg)); | 
| 330 |  | free_string_field (&(args_info->radius_orig)); | 
| 331 |  |  | 
| 332 |  |  | 
| 333 | + | for (i = 0; i < args_info->inputs_num; ++i) | 
| 334 | + | free (args_info->inputs [i]); | 
| 335 |  |  | 
| 336 | + | if (args_info->inputs_num) | 
| 337 | + | free (args_info->inputs); | 
| 338 | + |  | 
| 339 |  | clear_given (args_info); | 
| 340 |  | } | 
| 341 |  |  | 
| 432 |  | write_into_file(outfile, "density", 0, 0 ); | 
| 433 |  | if (args_info->slab_density_given) | 
| 434 |  | write_into_file(outfile, "slab_density", 0, 0 ); | 
| 435 | + | if (args_info->p_angle_given) | 
| 436 | + | write_into_file(outfile, "p_angle", 0, 0 ); | 
| 437 |  | if (args_info->hxy_given) | 
| 438 |  | write_into_file(outfile, "hxy", 0, 0 ); | 
| 439 |  | if (args_info->rho_r_given) | 
| 507 |  | args_info->scd_given = 0 ; | 
| 508 |  | args_info->density_given = 0 ; | 
| 509 |  | args_info->slab_density_given = 0 ; | 
| 510 | + | args_info->p_angle_given = 0 ; | 
| 511 |  | args_info->hxy_given = 0 ; | 
| 512 |  | args_info->rho_r_given = 0 ; | 
| 513 |  | args_info->hullvol_given = 0 ; | 
| 786 |  | { "scd",        0, NULL, 's' }, | 
| 787 |  | { "density",    0, NULL, 'd' }, | 
| 788 |  | { "slab_density",       0, NULL, 0 }, | 
| 789 | + | { "p_angle",    0, NULL, 0 }, | 
| 790 |  | { "hxy",        0, NULL, 0 }, | 
| 791 |  | { "rho_r",      0, NULL, 0 }, | 
| 792 |  | { "hullvol",    0, NULL, 0 }, | 
| 1285 |  | &(local_args_info.slab_density_given), optarg, 0, 0, ARG_NO, | 
| 1286 |  | check_ambiguity, override, 0, 0, | 
| 1287 |  | "slab_density", '-', | 
| 1288 | + | additional_error)) | 
| 1289 | + | goto failure; | 
| 1290 | + |  | 
| 1291 | + | } | 
| 1292 | + | /* p(cos(theta)).  */ | 
| 1293 | + | else if (strcmp (long_options[option_index].name, "p_angle") == 0) | 
| 1294 | + | { | 
| 1295 | + |  | 
| 1296 | + | if (args_info->staticProps_group_counter && override) | 
| 1297 | + | reset_group_staticProps (args_info); | 
| 1298 | + | args_info->staticProps_group_counter += 1; | 
| 1299 | + |  | 
| 1300 | + | if (update_arg( 0 , | 
| 1301 | + | 0 , &(args_info->p_angle_given), | 
| 1302 | + | &(local_args_info.p_angle_given), optarg, 0, 0, ARG_NO, | 
| 1303 | + | check_ambiguity, override, 0, 0, | 
| 1304 | + | "p_angle", '-', | 
| 1305 |  | additional_error)) | 
| 1306 |  | goto failure; | 
| 1307 |  |  | 
| 1387 |  | if ( error ) | 
| 1388 |  | return (EXIT_FAILURE); | 
| 1389 |  |  | 
| 1390 | + | if (optind < argc) | 
| 1391 | + | { | 
| 1392 | + | int i = 0 ; | 
| 1393 | + | int found_prog_name = 0; | 
| 1394 | + | /* whether program name, i.e., argv[0], is in the remaining args | 
| 1395 | + | (this may happen with some implementations of getopt, | 
| 1396 | + | but surely not with the one included by gengetopt) */ | 
| 1397 | + |  | 
| 1398 | + | i = optind; | 
| 1399 | + | while (i < argc) | 
| 1400 | + | if (argv[i++] == argv[0]) { | 
| 1401 | + | found_prog_name = 1; | 
| 1402 | + | break; | 
| 1403 | + | } | 
| 1404 | + | i = 0; | 
| 1405 | + |  | 
| 1406 | + | args_info->inputs_num = argc - optind - found_prog_name; | 
| 1407 | + | args_info->inputs = | 
| 1408 | + | (char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ; | 
| 1409 | + | while (optind < argc) | 
| 1410 | + | if (argv[optind++] != argv[0]) | 
| 1411 | + | args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ; | 
| 1412 | + | } | 
| 1413 | + |  | 
| 1414 |  | return 0; | 
| 1415 |  |  | 
| 1416 |  | failure: |