| 1 |  | /* | 
| 2 | < | File autogenerated by gengetopt version 2.16 | 
| 2 | > | File autogenerated by gengetopt version 2.19.1 | 
| 3 |  | generated with the following command: | 
| 4 | < | gengetopt -F StaticPropsCmd | 
| 4 | > | gengetopt -i StaticProps.ggo -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: | 
| 21 |  |  | 
| 22 |  | #include "StaticPropsCmd.h" | 
| 23 |  |  | 
| 24 | + | const char *gengetopt_args_info_purpose = ""; | 
| 25 | + |  | 
| 26 | + | const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]... [FILES]..."; | 
| 27 | + |  | 
| 28 | + | const char *gengetopt_args_info_description = ""; | 
| 29 | + |  | 
| 30 | + | const char *gengetopt_args_info_help[] = { | 
| 31 | + | "  -h, --help                    Print help and exit", | 
| 32 | + | "  -V, --version                 Print version and exit", | 
| 33 | + | "  -i, --input=filename          input dump file", | 
| 34 | + | "  -o, --output=filename         output file name", | 
| 35 | + | "  -n, --step=INT                process every n frame  (default=`1')", | 
| 36 | + | "  -b, --nbins=INT               number of bins (general purpose)  \n                                  (default=`100')", | 
| 37 | + | "  -x, --nbins_x=INT             number of bins in x axis  (default=`100')", | 
| 38 | + | "  -y, --nbins_y=INT             number of bins in y axis  (default=`100')", | 
| 39 | + | "  -a, --nanglebins=INT          number of bins for cos(angle)  (default=`50')", | 
| 40 | + | "      --length=DOUBLE           maximum length (Defaults to 1/2 smallest length \n                                  of first frame)", | 
| 41 | + | "  -c, --rcut=DOUBLE             cutoff radius (rcut)", | 
| 42 | + | "  -z, --zoffset=DOUBLE          Where to set the zero for the slab_density \n                                  calculation  (default=`0')", | 
| 43 | + | "      --sele1=selection script  select the first stuntdouble set", | 
| 44 | + | "      --sele2=selection script  select the second stuntdouble set", | 
| 45 | + | "      --sele3=selection script  select the third stuntdouble set", | 
| 46 | + | "      --refsele=selection script\n                                select reference (use and only use with --gxyz)", | 
| 47 | + | "      --molname=STRING          molecule name", | 
| 48 | + | "      --begin=INT               begin internal index", | 
| 49 | + | "      --end=INT                 end internal index", | 
| 50 | + | "      --radius=DOUBLE           nanoparticle radius", | 
| 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 | + | "  -g, --gofr                    g(r)", | 
| 55 | + | "      --r_theta                 g(r, cos(theta))", | 
| 56 | + | "      --r_omega                 g(r, cos(omega))", | 
| 57 | + | "      --theta_omega             g(cos(theta), cos(omega))", | 
| 58 | + | "      --gxyz                    g(x, y, z)", | 
| 59 | + | "  -p, --p2                      p2 order parameter (--sele1 and --sele2 must be \n                                  specified)", | 
| 60 | + | "      --rp2                     rp2 order parameter (--sele1 and --sele2 must \n                                  be specified)", | 
| 61 | + | "  -s, --scd                     scd order parameter (either --sele1, --sele2, \n                                  --sele3 are specified or --molname, --begin, \n                                  --end are specified)", | 
| 62 | + | "  -d, --density                 density plot", | 
| 63 | + | "      --slab_density            slab density", | 
| 64 | + | "      --hxy                     hxy", | 
| 65 | + | "      --rho_r                   rho of R", | 
| 66 | + | 0 | 
| 67 | + | }; | 
| 68 | + |  | 
| 69 |  | static | 
| 70 |  | void clear_given (struct gengetopt_args_info *args_info); | 
| 71 |  | static | 
| 93 |  | args_info->nbins_y_given = 0 ; | 
| 94 |  | args_info->nanglebins_given = 0 ; | 
| 95 |  | args_info->length_given = 0 ; | 
| 51 | – | args_info->LegendreL_given = 0 ; | 
| 96 |  | args_info->rcut_given = 0 ; | 
| 97 |  | args_info->zoffset_given = 0 ; | 
| 98 |  | args_info->sele1_given = 0 ; | 
| 102 |  | args_info->molname_given = 0 ; | 
| 103 |  | args_info->begin_given = 0 ; | 
| 104 |  | args_info->end_given = 0 ; | 
| 105 | + | args_info->radius_given = 0 ; | 
| 106 |  | args_info->bo_given = 0 ; | 
| 107 | + | args_info->bor_given = 0 ; | 
| 108 |  | args_info->gofr_given = 0 ; | 
| 109 |  | args_info->r_theta_given = 0 ; | 
| 110 |  | args_info->r_omega_given = 0 ; | 
| 116 |  | args_info->density_given = 0 ; | 
| 117 |  | args_info->slab_density_given = 0 ; | 
| 118 |  | args_info->hxy_given = 0 ; | 
| 119 | + | args_info->rho_r_given = 0 ; | 
| 120 |  | args_info->staticProps_group_counter = 0 ; | 
| 121 |  | } | 
| 122 |  |  | 
| 138 |  | args_info->nanglebins_arg = 50; | 
| 139 |  | args_info->nanglebins_orig = NULL; | 
| 140 |  | args_info->length_orig = NULL; | 
| 94 | – | args_info->LegendreL_orig = NULL; | 
| 141 |  | args_info->rcut_orig = NULL; | 
| 142 |  | args_info->zoffset_arg = 0; | 
| 143 |  | args_info->zoffset_orig = NULL; | 
| 153 |  | args_info->molname_orig = NULL; | 
| 154 |  | args_info->begin_orig = NULL; | 
| 155 |  | args_info->end_orig = NULL; | 
| 156 | + | args_info->radius_orig = NULL; | 
| 157 |  |  | 
| 158 |  | } | 
| 159 |  |  | 
| 160 | + | static | 
| 161 | + | void init_args_info(struct gengetopt_args_info *args_info) | 
| 162 | + | { | 
| 163 | + | args_info->help_help = gengetopt_args_info_help[0] ; | 
| 164 | + | args_info->version_help = gengetopt_args_info_help[1] ; | 
| 165 | + | args_info->input_help = gengetopt_args_info_help[2] ; | 
| 166 | + | args_info->output_help = gengetopt_args_info_help[3] ; | 
| 167 | + | args_info->step_help = gengetopt_args_info_help[4] ; | 
| 168 | + | args_info->nbins_help = gengetopt_args_info_help[5] ; | 
| 169 | + | args_info->nbins_x_help = gengetopt_args_info_help[6] ; | 
| 170 | + | args_info->nbins_y_help = gengetopt_args_info_help[7] ; | 
| 171 | + | args_info->nanglebins_help = gengetopt_args_info_help[8] ; | 
| 172 | + | args_info->length_help = gengetopt_args_info_help[9] ; | 
| 173 | + | args_info->rcut_help = gengetopt_args_info_help[10] ; | 
| 174 | + | args_info->zoffset_help = gengetopt_args_info_help[11] ; | 
| 175 | + | args_info->sele1_help = gengetopt_args_info_help[12] ; | 
| 176 | + | args_info->sele2_help = gengetopt_args_info_help[13] ; | 
| 177 | + | args_info->sele3_help = gengetopt_args_info_help[14] ; | 
| 178 | + | args_info->refsele_help = gengetopt_args_info_help[15] ; | 
| 179 | + | args_info->molname_help = gengetopt_args_info_help[16] ; | 
| 180 | + | args_info->begin_help = gengetopt_args_info_help[17] ; | 
| 181 | + | args_info->end_help = gengetopt_args_info_help[18] ; | 
| 182 | + | args_info->radius_help = gengetopt_args_info_help[19] ; | 
| 183 | + | args_info->bo_help = gengetopt_args_info_help[20] ; | 
| 184 | + | args_info->bor_help = gengetopt_args_info_help[21] ; | 
| 185 | + | args_info->gofr_help = gengetopt_args_info_help[22] ; | 
| 186 | + | args_info->r_theta_help = gengetopt_args_info_help[23] ; | 
| 187 | + | args_info->r_omega_help = gengetopt_args_info_help[24] ; | 
| 188 | + | args_info->theta_omega_help = gengetopt_args_info_help[25] ; | 
| 189 | + | args_info->gxyz_help = gengetopt_args_info_help[26] ; | 
| 190 | + | args_info->p2_help = gengetopt_args_info_help[27] ; | 
| 191 | + | args_info->rp2_help = gengetopt_args_info_help[28] ; | 
| 192 | + | args_info->scd_help = gengetopt_args_info_help[29] ; | 
| 193 | + | args_info->density_help = gengetopt_args_info_help[30] ; | 
| 194 | + | args_info->slab_density_help = gengetopt_args_info_help[31] ; | 
| 195 | + | args_info->hxy_help = gengetopt_args_info_help[32] ; | 
| 196 | + | args_info->rho_r_help = gengetopt_args_info_help[33] ; | 
| 197 | + |  | 
| 198 | + | } | 
| 199 | + |  | 
| 200 |  | void | 
| 201 |  | cmdline_parser_print_version (void) | 
| 202 |  | { | 
| 206 |  | void | 
| 207 |  | cmdline_parser_print_help (void) | 
| 208 |  | { | 
| 209 | + | int i = 0; | 
| 210 |  | cmdline_parser_print_version (); | 
| 211 | < | printf("\nUsage: StaticProps [OPTIONS]...\n\n"); | 
| 212 | < | printf("%s\n","  -h, --help                    Print help and exit"); | 
| 213 | < | printf("%s\n","  -V, --version                 Print version and exit"); | 
| 214 | < | printf("%s\n","  -i, --input=filename          input dump file"); | 
| 215 | < | printf("%s\n","  -o, --output=filename         output file name"); | 
| 216 | < | printf("%s\n","  -n, --step=INT                process every n frame  (default=`1')"); | 
| 217 | < | printf("%s\n","  -b, --nbins=INT               number of bins (general purpose)  \n                                  (default=`100')"); | 
| 218 | < | printf("%s\n","  -x, --nbins_x=INT             number of bins in x axis  (default=`100')"); | 
| 219 | < | printf("%s\n","  -y, --nbins_y=INT             number of bins in y axis  (default=`100')"); | 
| 220 | < | printf("%s\n","  -a, --nanglebins=INT          number of bins for cos(angle)  (default=`50')"); | 
| 221 | < | printf("%s\n","      --length=DOUBLE           maximum length (Defaults to 1/2 smallest length \n                                  of first frame)"); | 
| 134 | < | printf("%s\n","  -l, --LegendreL=INT           Order of Legendre Polynomial (used for Bond \n                                  Order calculations)"); | 
| 135 | < | printf("%s\n","  -c, --rcut=DOUBLE             cutoff radius (rcut)"); | 
| 136 | < | printf("%s\n","  -z, --zoffset=DOUBLE          Where to set the zero for the slab_density \n                                  calculation  (default=`0')"); | 
| 137 | < | printf("%s\n","      --sele1=selection script  select the first stuntdouble set"); | 
| 138 | < | printf("%s\n","      --sele2=selection script  select the second stuntdouble set"); | 
| 139 | < | printf("%s\n","      --sele3=selection script  select the third stuntdouble set"); | 
| 140 | < | printf("%s\n","      --refsele=selection script\n                                select reference (use and only use with --gxyz)"); | 
| 141 | < | printf("%s\n","      --molname=STRING          molecule name"); | 
| 142 | < | printf("%s\n","      --begin=INT               begin internal index"); | 
| 143 | < | printf("%s\n","      --end=INT                 end internal index"); | 
| 144 | < | printf("%s\n","\n Group: staticProps\n   an option of this group is required"); | 
| 145 | < | printf("%s\n","      --bo                      bond order parameter (--rcut and --LegendreL \n                                  must be specified"); | 
| 146 | < | printf("%s\n","  -g, --gofr                    g(r)"); | 
| 147 | < | printf("%s\n","      --r_theta                 g(r, cos(theta))"); | 
| 148 | < | printf("%s\n","      --r_omega                 g(r, cos(omega))"); | 
| 149 | < | printf("%s\n","      --theta_omega             g(cos(theta), cos(omega))"); | 
| 150 | < | printf("%s\n","      --gxyz                    g(x, y, z)"); | 
| 151 | < | printf("%s\n","  -p, --p2                      p2 order parameter (--sele1 and --sele2 must be \n                                  specified)"); | 
| 152 | < | printf("%s\n","      --rp2                     rp2 order parameter (--sele1 and --sele2 must \n                                  be specified)"); | 
| 153 | < | printf("%s\n","  -s, --scd                     scd order parameter (either --sele1, --sele2, \n                                  --sele3 are specified or --molname, --begin, \n                                  --end are specified)"); | 
| 154 | < | printf("%s\n","  -d, --density                 density plot"); | 
| 155 | < | printf("%s\n","      --slab_density            slab density"); | 
| 156 | < | printf("%s\n","      --hxy                     hxy"); | 
| 157 | < |  | 
| 211 | > |  | 
| 212 | > | if (strlen(gengetopt_args_info_purpose) > 0) | 
| 213 | > | printf("\n%s\n", gengetopt_args_info_purpose); | 
| 214 | > |  | 
| 215 | > | printf("\n%s\n\n", gengetopt_args_info_usage); | 
| 216 | > |  | 
| 217 | > | if (strlen(gengetopt_args_info_description) > 0) | 
| 218 | > | printf("%s\n", gengetopt_args_info_description); | 
| 219 | > |  | 
| 220 | > | while (gengetopt_args_info_help[i]) | 
| 221 | > | printf("%s\n", gengetopt_args_info_help[i++]); | 
| 222 |  | } | 
| 223 |  |  | 
| 224 |  | void | 
| 226 |  | { | 
| 227 |  | clear_given (args_info); | 
| 228 |  | clear_args (args_info); | 
| 229 | + | init_args_info (args_info); | 
| 230 | + |  | 
| 231 | + | args_info->inputs = NULL; | 
| 232 | + | args_info->inputs_num = 0; | 
| 233 |  | } | 
| 234 |  |  | 
| 235 |  | static void | 
| 236 |  | cmdline_parser_release (struct gengetopt_args_info *args_info) | 
| 237 |  | { | 
| 238 |  |  | 
| 239 | + | unsigned int i; | 
| 240 |  | if (args_info->input_arg) | 
| 241 |  | { | 
| 242 |  | free (args_info->input_arg); /* free previous argument */ | 
| 286 |  | { | 
| 287 |  | free (args_info->length_orig); /* free previous argument */ | 
| 288 |  | args_info->length_orig = 0; | 
| 220 | – | } | 
| 221 | – | if (args_info->LegendreL_orig) | 
| 222 | – | { | 
| 223 | – | free (args_info->LegendreL_orig); /* free previous argument */ | 
| 224 | – | args_info->LegendreL_orig = 0; | 
| 289 |  | } | 
| 290 |  | if (args_info->rcut_orig) | 
| 291 |  | { | 
| 357 |  | free (args_info->end_orig); /* free previous argument */ | 
| 358 |  | args_info->end_orig = 0; | 
| 359 |  | } | 
| 360 | + | if (args_info->radius_orig) | 
| 361 | + | { | 
| 362 | + | free (args_info->radius_orig); /* free previous argument */ | 
| 363 | + | args_info->radius_orig = 0; | 
| 364 | + | } | 
| 365 |  |  | 
| 366 | + | for (i = 0; i < args_info->inputs_num; ++i) | 
| 367 | + | free (args_info->inputs [i]); | 
| 368 | + |  | 
| 369 | + | if (args_info->inputs_num) | 
| 370 | + | free (args_info->inputs); | 
| 371 | + |  | 
| 372 |  | clear_given (args_info); | 
| 373 |  | } | 
| 374 |  |  | 
| 448 |  | fprintf(outfile, "%s\n", "length"); | 
| 449 |  | } | 
| 450 |  | } | 
| 376 | – | if (args_info->LegendreL_given) { | 
| 377 | – | if (args_info->LegendreL_orig) { | 
| 378 | – | fprintf(outfile, "%s=\"%s\"\n", "LegendreL", args_info->LegendreL_orig); | 
| 379 | – | } else { | 
| 380 | – | fprintf(outfile, "%s\n", "LegendreL"); | 
| 381 | – | } | 
| 382 | – | } | 
| 451 |  | if (args_info->rcut_given) { | 
| 452 |  | if (args_info->rcut_orig) { | 
| 453 |  | fprintf(outfile, "%s=\"%s\"\n", "rcut", args_info->rcut_orig); | 
| 511 |  | fprintf(outfile, "%s\n", "end"); | 
| 512 |  | } | 
| 513 |  | } | 
| 514 | + | if (args_info->radius_given) { | 
| 515 | + | if (args_info->radius_orig) { | 
| 516 | + | fprintf(outfile, "%s=\"%s\"\n", "radius", args_info->radius_orig); | 
| 517 | + | } else { | 
| 518 | + | fprintf(outfile, "%s\n", "radius"); | 
| 519 | + | } | 
| 520 | + | } | 
| 521 |  | if (args_info->bo_given) { | 
| 522 |  | fprintf(outfile, "%s\n", "bo"); | 
| 523 |  | } | 
| 524 | + | if (args_info->bor_given) { | 
| 525 | + | fprintf(outfile, "%s\n", "bor"); | 
| 526 | + | } | 
| 527 |  | if (args_info->gofr_given) { | 
| 528 |  | fprintf(outfile, "%s\n", "gofr"); | 
| 529 |  | } | 
| 557 |  | if (args_info->hxy_given) { | 
| 558 |  | fprintf(outfile, "%s\n", "hxy"); | 
| 559 |  | } | 
| 560 | + | if (args_info->rho_r_given) { | 
| 561 | + | fprintf(outfile, "%s\n", "rho_r"); | 
| 562 | + | } | 
| 563 |  |  | 
| 564 |  | fclose (outfile); | 
| 565 |  |  | 
| 600 |  | return; | 
| 601 |  |  | 
| 602 |  | args_info->bo_given = 0 ; | 
| 603 | + | args_info->bor_given = 0 ; | 
| 604 |  | args_info->gofr_given = 0 ; | 
| 605 |  | args_info->r_theta_given = 0 ; | 
| 606 |  | args_info->r_omega_given = 0 ; | 
| 612 |  | args_info->density_given = 0 ; | 
| 613 |  | args_info->slab_density_given = 0 ; | 
| 614 |  | args_info->hxy_given = 0 ; | 
| 615 | + | args_info->rho_r_given = 0 ; | 
| 616 |  |  | 
| 617 |  | args_info->staticProps_group_counter = 0; | 
| 618 |  | } | 
| 661 |  | { | 
| 662 |  | int error = 0; | 
| 663 |  |  | 
| 664 | + | /* checks for required options */ | 
| 665 |  | if (! args_info->input_given) | 
| 666 |  | { | 
| 667 |  | fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : "")); | 
| 668 |  | error = 1; | 
| 669 |  | } | 
| 670 | + |  | 
| 671 |  | if (args_info->staticProps_group_counter == 0) | 
| 672 |  | { | 
| 673 |  | fprintf (stderr, "%s: %d options of group staticProps were given. One is required.%s\n", prog_name, args_info->staticProps_group_counter, (additional_error ? additional_error : "")); | 
| 675 |  | } | 
| 676 |  |  | 
| 677 |  |  | 
| 678 | + | /* checks for dependences among options */ | 
| 679 | + |  | 
| 680 |  | return error; | 
| 681 |  | } | 
| 682 |  |  | 
| 714 |  | { "nbins_y",    1, NULL, 'y' }, | 
| 715 |  | { "nanglebins", 1, NULL, 'a' }, | 
| 716 |  | { "length",     1, NULL, 0 }, | 
| 630 | – | { "LegendreL",  1, NULL, 'l' }, | 
| 717 |  | { "rcut",       1, NULL, 'c' }, | 
| 718 |  | { "zoffset",    1, NULL, 'z' }, | 
| 719 |  | { "sele1",      1, NULL, 0 }, | 
| 723 |  | { "molname",    1, NULL, 0 }, | 
| 724 |  | { "begin",      1, NULL, 0 }, | 
| 725 |  | { "end",        1, NULL, 0 }, | 
| 726 | + | { "radius",     1, NULL, 0 }, | 
| 727 |  | { "bo", 0, NULL, 0 }, | 
| 728 | + | { "bor",        0, NULL, 0 }, | 
| 729 |  | { "gofr",       0, NULL, 'g' }, | 
| 730 |  | { "r_theta",    0, NULL, 0 }, | 
| 731 |  | { "r_omega",    0, NULL, 0 }, | 
| 737 |  | { "density",    0, NULL, 'd' }, | 
| 738 |  | { "slab_density",       0, NULL, 0 }, | 
| 739 |  | { "hxy",        0, NULL, 0 }, | 
| 740 | + | { "rho_r",      0, NULL, 0 }, | 
| 741 |  | { NULL, 0, NULL, 0 } | 
| 742 |  | }; | 
| 743 |  |  | 
| 744 |  | stop_char = 0; | 
| 745 | < | c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:l:c:z:gpsd", long_options, &option_index); | 
| 745 | > | c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsd", long_options, &option_index); | 
| 746 |  |  | 
| 747 |  | if (c == -1) break;       /* Exit from `while (1)' loop.  */ | 
| 748 |  |  | 
| 892 |  | if (args_info->nanglebins_orig) | 
| 893 |  | free (args_info->nanglebins_orig); /* free previous string */ | 
| 894 |  | args_info->nanglebins_orig = gengetopt_strdup (optarg); | 
| 806 | – | break; | 
| 807 | – |  | 
| 808 | – | case 'l':       /* Order of Legendre Polynomial (used for Bond Order calculations).  */ | 
| 809 | – | if (local_args_info.LegendreL_given) | 
| 810 | – | { | 
| 811 | – | fprintf (stderr, "%s: `--LegendreL' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); | 
| 812 | – | goto failure; | 
| 813 | – | } | 
| 814 | – | if (args_info->LegendreL_given && ! override) | 
| 815 | – | continue; | 
| 816 | – | local_args_info.LegendreL_given = 1; | 
| 817 | – | args_info->LegendreL_given = 1; | 
| 818 | – | args_info->LegendreL_arg = strtol (optarg, &stop_char, 0); | 
| 819 | – | if (!(stop_char && *stop_char == '\0')) { | 
| 820 | – | fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); | 
| 821 | – | goto failure; | 
| 822 | – | } | 
| 823 | – | if (args_info->LegendreL_orig) | 
| 824 | – | free (args_info->LegendreL_orig); /* free previous string */ | 
| 825 | – | args_info->LegendreL_orig = gengetopt_strdup (optarg); | 
| 895 |  | break; | 
| 896 |  |  | 
| 897 |  | case 'c':       /* cutoff radius (rcut).  */ | 
| 1154 |  | free (args_info->end_orig); /* free previous string */ | 
| 1155 |  | args_info->end_orig = gengetopt_strdup (optarg); | 
| 1156 |  | } | 
| 1157 | < | /* bond order parameter (--rcut and --LegendreL must be specified.  */ | 
| 1157 | > | /* nanoparticle radius.  */ | 
| 1158 | > | else if (strcmp (long_options[option_index].name, "radius") == 0) | 
| 1159 | > | { | 
| 1160 | > | if (local_args_info.radius_given) | 
| 1161 | > | { | 
| 1162 | > | fprintf (stderr, "%s: `--radius' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); | 
| 1163 | > | goto failure; | 
| 1164 | > | } | 
| 1165 | > | if (args_info->radius_given && ! override) | 
| 1166 | > | continue; | 
| 1167 | > | local_args_info.radius_given = 1; | 
| 1168 | > | args_info->radius_given = 1; | 
| 1169 | > | args_info->radius_arg = strtod (optarg, &stop_char); | 
| 1170 | > | if (!(stop_char && *stop_char == '\0')) { | 
| 1171 | > | fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); | 
| 1172 | > | goto failure; | 
| 1173 | > | } | 
| 1174 | > | if (args_info->radius_orig) | 
| 1175 | > | free (args_info->radius_orig); /* free previous string */ | 
| 1176 | > | args_info->radius_orig = gengetopt_strdup (optarg); | 
| 1177 | > | } | 
| 1178 | > | /* bond order parameter (--rcut must be specified).  */ | 
| 1179 |  | else if (strcmp (long_options[option_index].name, "bo") == 0) | 
| 1180 |  | { | 
| 1181 |  | if (local_args_info.bo_given) | 
| 1192 |  | args_info->staticProps_group_counter += 1; | 
| 1193 |  | break; | 
| 1194 |  | } | 
| 1195 | + | /* bond order parameter as a function of radius (--rcut must be specified).  */ | 
| 1196 | + | else if (strcmp (long_options[option_index].name, "bor") == 0) | 
| 1197 | + | { | 
| 1198 | + | if (local_args_info.bor_given) | 
| 1199 | + | { | 
| 1200 | + | fprintf (stderr, "%s: `--bor' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); | 
| 1201 | + | goto failure; | 
| 1202 | + | } | 
| 1203 | + | if (args_info->bor_given && ! override) | 
| 1204 | + | continue; | 
| 1205 | + | local_args_info.bor_given = 1; | 
| 1206 | + | args_info->bor_given = 1; | 
| 1207 | + | if (args_info->staticProps_group_counter && override) | 
| 1208 | + | reset_group_staticProps (args_info); | 
| 1209 | + | args_info->staticProps_group_counter += 1; | 
| 1210 | + | break; | 
| 1211 | + | } | 
| 1212 |  | /* g(r, cos(theta)).  */ | 
| 1213 |  | else if (strcmp (long_options[option_index].name, "r_theta") == 0) | 
| 1214 |  | { | 
| 1328 |  | args_info->staticProps_group_counter += 1; | 
| 1329 |  | break; | 
| 1330 |  | } | 
| 1331 | + | /* rho of R.  */ | 
| 1332 | + | else if (strcmp (long_options[option_index].name, "rho_r") == 0) | 
| 1333 | + | { | 
| 1334 | + | if (local_args_info.rho_r_given) | 
| 1335 | + | { | 
| 1336 | + | fprintf (stderr, "%s: `--rho_r' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); | 
| 1337 | + | goto failure; | 
| 1338 | + | } | 
| 1339 | + | if (args_info->rho_r_given && ! override) | 
| 1340 | + | continue; | 
| 1341 | + | local_args_info.rho_r_given = 1; | 
| 1342 | + | args_info->rho_r_given = 1; | 
| 1343 | + | if (args_info->staticProps_group_counter && override) | 
| 1344 | + | reset_group_staticProps (args_info); | 
| 1345 | + | args_info->staticProps_group_counter += 1; | 
| 1346 | + | break; | 
| 1347 | + | } | 
| 1348 |  |  | 
| 1349 |  | break; | 
| 1350 |  | case '?':       /* Invalid option.  */ | 
| 1375 |  | if ( error ) | 
| 1376 |  | return (EXIT_FAILURE); | 
| 1377 |  |  | 
| 1378 | + | if (optind < argc) | 
| 1379 | + | { | 
| 1380 | + | int i = 0 ; | 
| 1381 | + | int found_prog_name = 0; | 
| 1382 | + | /* whether program name, i.e., argv[0], is in the remaining args | 
| 1383 | + | (this may happen with some implementations of getopt, | 
| 1384 | + | but surely not with the one included by gengetopt) */ | 
| 1385 | + |  | 
| 1386 | + | i = optind; | 
| 1387 | + | while (i < argc) | 
| 1388 | + | if (argv[i++] == argv[0]) { | 
| 1389 | + | found_prog_name = 1; | 
| 1390 | + | break; | 
| 1391 | + | } | 
| 1392 | + | i = 0; | 
| 1393 | + |  | 
| 1394 | + | args_info->inputs_num = argc - optind - found_prog_name; | 
| 1395 | + | args_info->inputs = | 
| 1396 | + | (char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ; | 
| 1397 | + | while (optind < argc) | 
| 1398 | + | if (argv[optind++] != argv[0]) | 
| 1399 | + | args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ; | 
| 1400 | + | } | 
| 1401 | + |  | 
| 1402 |  | return 0; | 
| 1403 |  |  | 
| 1404 |  | failure: |