| 1 |  | /* | 
| 2 |  | File autogenerated by gengetopt version 2.22 | 
| 3 |  | generated with the following command: | 
| 4 | < | gengetopt -F StaticPropsCmd -u | 
| 4 | > | gengetopt -F StaticPropsCmd | 
| 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]... [FILES]..."; | 
| 26 | > | const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]..."; | 
| 27 |  |  | 
| 28 |  | const char *gengetopt_args_info_description = ""; | 
| 29 |  |  | 
| 38 |  | "  -y, --nbins_y=INT             number of bins in y axis  (default=`100')", | 
| 39 |  | "      --nbins_z=INT             number of bins in z axis  (default=`100')", | 
| 40 |  | "  -a, --nanglebins=INT          number of bins for cos(angle)  (default=`50')", | 
| 41 | – | "      --length=DOUBLE           maximum length (Defaults to 1/2 smallest length \n                                  of first frame)", | 
| 41 |  | "  -c, --rcut=DOUBLE             cutoff radius (rcut)", | 
| 42 | + | "      --length=DOUBLE           maximum length (Defaults to 1/2 smallest length \n                                  of first frame)", | 
| 43 | + | "      --zlength=DOUBLE          maximum length (Defaults to 1/2 smallest length \n                                  of first frame)", | 
| 44 |  | "  -z, --zoffset=DOUBLE          Where to set the zero for the slab_density \n                                  calculation  (default=`0')", | 
| 45 |  | "      --sele1=selection script  select the first stuntdouble set", | 
| 46 |  | "      --sele2=selection script  select the second stuntdouble set", | 
| 108 |  | args_info->nbins_y_given = 0 ; | 
| 109 |  | args_info->nbins_z_given = 0 ; | 
| 110 |  | args_info->nanglebins_given = 0 ; | 
| 110 | – | args_info->length_given = 0 ; | 
| 111 |  | args_info->rcut_given = 0 ; | 
| 112 | + | args_info->length_given = 0 ; | 
| 113 | + | args_info->zlength_given = 0 ; | 
| 114 |  | args_info->zoffset_given = 0 ; | 
| 115 |  | args_info->sele1_given = 0 ; | 
| 116 |  | args_info->sele2_given = 0 ; | 
| 162 |  | args_info->nbins_z_orig = NULL; | 
| 163 |  | args_info->nanglebins_arg = 50; | 
| 164 |  | args_info->nanglebins_orig = NULL; | 
| 163 | – | args_info->length_orig = NULL; | 
| 165 |  | args_info->rcut_orig = NULL; | 
| 166 | + | args_info->length_orig = NULL; | 
| 167 | + | args_info->zlength_orig = NULL; | 
| 168 |  | args_info->zoffset_arg = 0; | 
| 169 |  | args_info->zoffset_orig = NULL; | 
| 170 |  | args_info->sele1_arg = NULL; | 
| 200 |  | args_info->nbins_y_help = gengetopt_args_info_help[7] ; | 
| 201 |  | args_info->nbins_z_help = gengetopt_args_info_help[8] ; | 
| 202 |  | args_info->nanglebins_help = gengetopt_args_info_help[9] ; | 
| 203 | < | args_info->length_help = gengetopt_args_info_help[10] ; | 
| 204 | < | args_info->rcut_help = gengetopt_args_info_help[11] ; | 
| 205 | < | args_info->zoffset_help = gengetopt_args_info_help[12] ; | 
| 206 | < | args_info->sele1_help = gengetopt_args_info_help[13] ; | 
| 207 | < | args_info->sele2_help = gengetopt_args_info_help[14] ; | 
| 208 | < | args_info->sele3_help = gengetopt_args_info_help[15] ; | 
| 209 | < | args_info->refsele_help = gengetopt_args_info_help[16] ; | 
| 210 | < | args_info->comsele_help = gengetopt_args_info_help[17] ; | 
| 211 | < | args_info->molname_help = gengetopt_args_info_help[18] ; | 
| 212 | < | args_info->begin_help = gengetopt_args_info_help[19] ; | 
| 213 | < | args_info->end_help = gengetopt_args_info_help[20] ; | 
| 214 | < | args_info->radius_help = gengetopt_args_info_help[21] ; | 
| 215 | < | args_info->bo_help = gengetopt_args_info_help[23] ; | 
| 216 | < | args_info->bor_help = gengetopt_args_info_help[24] ; | 
| 217 | < | args_info->bad_help = gengetopt_args_info_help[25] ; | 
| 218 | < | args_info->gofr_help = gengetopt_args_info_help[26] ; | 
| 219 | < | args_info->gofz_help = gengetopt_args_info_help[27] ; | 
| 220 | < | args_info->r_theta_help = gengetopt_args_info_help[28] ; | 
| 221 | < | args_info->r_omega_help = gengetopt_args_info_help[29] ; | 
| 222 | < | args_info->r_z_help = gengetopt_args_info_help[30] ; | 
| 223 | < | args_info->theta_omega_help = gengetopt_args_info_help[31] ; | 
| 224 | < | args_info->gxyz_help = gengetopt_args_info_help[32] ; | 
| 225 | < | args_info->p2_help = gengetopt_args_info_help[33] ; | 
| 226 | < | args_info->rp2_help = gengetopt_args_info_help[34] ; | 
| 227 | < | args_info->scd_help = gengetopt_args_info_help[35] ; | 
| 228 | < | args_info->density_help = gengetopt_args_info_help[36] ; | 
| 229 | < | args_info->slab_density_help = gengetopt_args_info_help[37] ; | 
| 230 | < | args_info->p_angle_help = gengetopt_args_info_help[38] ; | 
| 231 | < | args_info->hxy_help = gengetopt_args_info_help[39] ; | 
| 232 | < | args_info->rho_r_help = gengetopt_args_info_help[40] ; | 
| 233 | < | args_info->hullvol_help = gengetopt_args_info_help[41] ; | 
| 203 | > | args_info->rcut_help = gengetopt_args_info_help[10] ; | 
| 204 | > | args_info->length_help = gengetopt_args_info_help[11] ; | 
| 205 | > | args_info->zlength_help = gengetopt_args_info_help[12] ; | 
| 206 | > | args_info->zoffset_help = gengetopt_args_info_help[13] ; | 
| 207 | > | args_info->sele1_help = gengetopt_args_info_help[14] ; | 
| 208 | > | args_info->sele2_help = gengetopt_args_info_help[15] ; | 
| 209 | > | args_info->sele3_help = gengetopt_args_info_help[16] ; | 
| 210 | > | args_info->refsele_help = gengetopt_args_info_help[17] ; | 
| 211 | > | args_info->comsele_help = gengetopt_args_info_help[18] ; | 
| 212 | > | args_info->molname_help = gengetopt_args_info_help[19] ; | 
| 213 | > | args_info->begin_help = gengetopt_args_info_help[20] ; | 
| 214 | > | args_info->end_help = gengetopt_args_info_help[21] ; | 
| 215 | > | args_info->radius_help = gengetopt_args_info_help[22] ; | 
| 216 | > | args_info->bo_help = gengetopt_args_info_help[24] ; | 
| 217 | > | args_info->bor_help = gengetopt_args_info_help[25] ; | 
| 218 | > | args_info->bad_help = gengetopt_args_info_help[26] ; | 
| 219 | > | args_info->gofr_help = gengetopt_args_info_help[27] ; | 
| 220 | > | args_info->gofz_help = gengetopt_args_info_help[28] ; | 
| 221 | > | args_info->r_theta_help = gengetopt_args_info_help[29] ; | 
| 222 | > | args_info->r_omega_help = gengetopt_args_info_help[30] ; | 
| 223 | > | args_info->r_z_help = gengetopt_args_info_help[31] ; | 
| 224 | > | args_info->theta_omega_help = gengetopt_args_info_help[32] ; | 
| 225 | > | args_info->gxyz_help = gengetopt_args_info_help[33] ; | 
| 226 | > | args_info->p2_help = gengetopt_args_info_help[34] ; | 
| 227 | > | args_info->rp2_help = gengetopt_args_info_help[35] ; | 
| 228 | > | args_info->scd_help = gengetopt_args_info_help[36] ; | 
| 229 | > | args_info->density_help = gengetopt_args_info_help[37] ; | 
| 230 | > | args_info->slab_density_help = gengetopt_args_info_help[38] ; | 
| 231 | > | args_info->p_angle_help = gengetopt_args_info_help[39] ; | 
| 232 | > | args_info->hxy_help = gengetopt_args_info_help[40] ; | 
| 233 | > | args_info->rho_r_help = gengetopt_args_info_help[41] ; | 
| 234 | > | args_info->hullvol_help = gengetopt_args_info_help[42] ; | 
| 235 |  |  | 
| 236 |  | } | 
| 237 |  |  | 
| 271 |  | clear_given (args_info); | 
| 272 |  | clear_args (args_info); | 
| 273 |  | init_args_info (args_info); | 
| 270 | – |  | 
| 271 | – | args_info->inputs = NULL; | 
| 272 | – | args_info->inputs_num = 0; | 
| 274 |  | } | 
| 275 |  |  | 
| 276 |  | void | 
| 309 |  | static void | 
| 310 |  | cmdline_parser_release (struct gengetopt_args_info *args_info) | 
| 311 |  | { | 
| 312 | < | unsigned int i; | 
| 312 | > |  | 
| 313 |  | free_string_field (&(args_info->input_arg)); | 
| 314 |  | free_string_field (&(args_info->input_orig)); | 
| 315 |  | free_string_field (&(args_info->output_arg)); | 
| 320 |  | free_string_field (&(args_info->nbins_y_orig)); | 
| 321 |  | free_string_field (&(args_info->nbins_z_orig)); | 
| 322 |  | free_string_field (&(args_info->nanglebins_orig)); | 
| 322 | – | free_string_field (&(args_info->length_orig)); | 
| 323 |  | free_string_field (&(args_info->rcut_orig)); | 
| 324 | + | free_string_field (&(args_info->length_orig)); | 
| 325 | + | free_string_field (&(args_info->zlength_orig)); | 
| 326 |  | free_string_field (&(args_info->zoffset_orig)); | 
| 327 |  | free_string_field (&(args_info->sele1_arg)); | 
| 328 |  | free_string_field (&(args_info->sele1_orig)); | 
| 341 |  | free_string_field (&(args_info->radius_orig)); | 
| 342 |  |  | 
| 343 |  |  | 
| 342 | – | for (i = 0; i < args_info->inputs_num; ++i) | 
| 343 | – | free (args_info->inputs [i]); | 
| 344 |  |  | 
| 345 | – | if (args_info->inputs_num) | 
| 346 | – | free (args_info->inputs); | 
| 347 | – |  | 
| 345 |  | clear_given (args_info); | 
| 346 |  | } | 
| 347 |  |  | 
| 388 |  | write_into_file(outfile, "nbins_z", args_info->nbins_z_orig, 0); | 
| 389 |  | if (args_info->nanglebins_given) | 
| 390 |  | write_into_file(outfile, "nanglebins", args_info->nanglebins_orig, 0); | 
| 394 | – | if (args_info->length_given) | 
| 395 | – | write_into_file(outfile, "length", args_info->length_orig, 0); | 
| 391 |  | if (args_info->rcut_given) | 
| 392 |  | write_into_file(outfile, "rcut", args_info->rcut_orig, 0); | 
| 393 | + | if (args_info->length_given) | 
| 394 | + | write_into_file(outfile, "length", args_info->length_orig, 0); | 
| 395 | + | if (args_info->zlength_given) | 
| 396 | + | write_into_file(outfile, "zlength", args_info->zlength_orig, 0); | 
| 397 |  | if (args_info->zoffset_given) | 
| 398 |  | write_into_file(outfile, "zoffset", args_info->zoffset_orig, 0); | 
| 399 |  | if (args_info->sele1_given) | 
| 774 |  | { "nbins_y",    1, NULL, 'y' }, | 
| 775 |  | { "nbins_z",    1, NULL, 0 }, | 
| 776 |  | { "nanglebins", 1, NULL, 'a' }, | 
| 778 | – | { "length",     1, NULL, 0 }, | 
| 777 |  | { "rcut",       1, NULL, 'c' }, | 
| 778 | + | { "length",     1, NULL, 0 }, | 
| 779 | + | { "zlength",    1, NULL, 0 }, | 
| 780 |  | { "zoffset",    1, NULL, 'z' }, | 
| 781 |  | { "sele1",      1, NULL, 0 }, | 
| 782 |  | { "sele2",      1, NULL, 0 }, | 
| 1023 |  | goto failure; | 
| 1024 |  |  | 
| 1025 |  | } | 
| 1026 | + | /* maximum length (Defaults to 1/2 smallest length of first frame).  */ | 
| 1027 | + | else if (strcmp (long_options[option_index].name, "zlength") == 0) | 
| 1028 | + | { | 
| 1029 | + |  | 
| 1030 | + |  | 
| 1031 | + | if (update_arg( (void *)&(args_info->zlength_arg), | 
| 1032 | + | &(args_info->zlength_orig), &(args_info->zlength_given), | 
| 1033 | + | &(local_args_info.zlength_given), optarg, 0, 0, ARG_DOUBLE, | 
| 1034 | + | check_ambiguity, override, 0, 0, | 
| 1035 | + | "zlength", '-', | 
| 1036 | + | additional_error)) | 
| 1037 | + | goto failure; | 
| 1038 | + |  | 
| 1039 | + | } | 
| 1040 |  | /* select the first stuntdouble set.  */ | 
| 1041 |  | else if (strcmp (long_options[option_index].name, "sele1") == 0) | 
| 1042 |  | { | 
| 1448 |  | if ( error ) | 
| 1449 |  | return (EXIT_FAILURE); | 
| 1450 |  |  | 
| 1437 | – | if (optind < argc) | 
| 1438 | – | { | 
| 1439 | – | int i = 0 ; | 
| 1440 | – | int found_prog_name = 0; | 
| 1441 | – | /* whether program name, i.e., argv[0], is in the remaining args | 
| 1442 | – | (this may happen with some implementations of getopt, | 
| 1443 | – | but surely not with the one included by gengetopt) */ | 
| 1444 | – |  | 
| 1445 | – | i = optind; | 
| 1446 | – | while (i < argc) | 
| 1447 | – | if (argv[i++] == argv[0]) { | 
| 1448 | – | found_prog_name = 1; | 
| 1449 | – | break; | 
| 1450 | – | } | 
| 1451 | – | i = 0; | 
| 1452 | – |  | 
| 1453 | – | args_info->inputs_num = argc - optind - found_prog_name; | 
| 1454 | – | args_info->inputs = | 
| 1455 | – | (char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ; | 
| 1456 | – | while (optind < argc) | 
| 1457 | – | if (argv[optind++] != argv[0]) | 
| 1458 | – | args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ; | 
| 1459 | – | } | 
| 1460 | – |  | 
| 1451 |  | return 0; | 
| 1452 |  |  | 
| 1453 |  | failure: |