| 1 |  | /* | 
| 2 |  | File autogenerated by gengetopt version 2.11 | 
| 3 |  | generated with the following command: | 
| 4 | < | /home/maul/gezelter/tim/bin/gengetopt -F StaticPropsCmd | 
| 4 | > | /home/maul/gezelter/tim/bin/gengetopt -i StaticProps.ggo -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: | 
| 43 |  | printf("  -r, --nrbins=INT                number of bins for distance  (default=`100')\n"); | 
| 44 |  | printf("  -a, --nanglebins=INT            number of bins for cos(angle)  (default=\n                                    `50')\n"); | 
| 45 |  | printf("  -l, --length=DOUBLE             maximum length (Defaults to 1/2 smallest \n                                    length of first frame)\n"); | 
| 46 | < | printf("      --sele1=selection script    select first stuntdouble set\n"); | 
| 47 | < | printf("      --sele2=selection script    select second stuntdouble set\n"); | 
| 46 | > | printf("      --sele1=selection script    select the first stuntdouble set\n"); | 
| 47 | > | printf("      --sele2=selection script    select the second stuntdouble set\n"); | 
| 48 | > | printf("      --sele3=selection script    select the third stuntdouble set\n"); | 
| 49 |  | printf("      --refsele=selection script  select reference (use and only use with \n                                    --gxyz)\n"); | 
| 50 | + | printf("      --molname=STRING            molecule name\n"); | 
| 51 | + | printf("      --begin=INT                 begin interanl index\n"); | 
| 52 | + | printf("      --end=INT                   end internal index\n"); | 
| 53 |  | printf("\n"); | 
| 54 |  | printf(" Group: staticProps  an option of this group is required\n"); | 
| 55 |  | printf("      --gofr                      g(r)\n"); | 
| 57 |  | printf("      --r_omega                   g(r, cos(omega))\n"); | 
| 58 |  | printf("      --theta_omega               g(cos(theta), cos(omega))\n"); | 
| 59 |  | printf("      --gxyz                      g(x, y, z)\n"); | 
| 60 | + | printf("      --p2                        p2 order parameter (--sele1 and --sele2 must \n                                    be specified)\n"); | 
| 61 | + | printf("      --scd                       scd order parameter(either --sele1, --sele2, \n                                    --sele3 are specified or --molname, \n                                    --begin, --end are specified)\n"); | 
| 62 | + | printf("      --density                   density plot (--sele1 must be specified)\n"); | 
| 63 |  | } | 
| 64 |  |  | 
| 65 |  |  | 
| 95 |  | args_info->length_given = 0 ; | 
| 96 |  | args_info->sele1_given = 0 ; | 
| 97 |  | args_info->sele2_given = 0 ; | 
| 98 | + | args_info->sele3_given = 0 ; | 
| 99 |  | args_info->refsele_given = 0 ; | 
| 100 | + | args_info->molname_given = 0 ; | 
| 101 | + | args_info->begin_given = 0 ; | 
| 102 | + | args_info->end_given = 0 ; | 
| 103 |  | args_info->gofr_given = 0 ; | 
| 104 |  | args_info->r_theta_given = 0 ; | 
| 105 |  | args_info->r_omega_given = 0 ; | 
| 106 |  | args_info->theta_omega_given = 0 ; | 
| 107 |  | args_info->gxyz_given = 0 ; | 
| 108 | + | args_info->p2_given = 0 ; | 
| 109 | + | args_info->scd_given = 0 ; | 
| 110 | + | args_info->density_given = 0 ; | 
| 111 |  | #define clear_args() { \ | 
| 112 |  | args_info->input_arg = NULL; \ | 
| 113 |  | args_info->output_arg = NULL; \ | 
| 116 |  | args_info->nanglebins_arg = 50 ;\ | 
| 117 |  | args_info->sele1_arg = NULL; \ | 
| 118 |  | args_info->sele2_arg = NULL; \ | 
| 119 | + | args_info->sele3_arg = NULL; \ | 
| 120 |  | args_info->refsele_arg = NULL; \ | 
| 121 | + | args_info->molname_arg = NULL; \ | 
| 122 |  | } | 
| 123 |  |  | 
| 124 |  | clear_args(); | 
| 144 |  | { "length",     1, NULL, 'l' }, | 
| 145 |  | { "sele1",      1, NULL, 0 }, | 
| 146 |  | { "sele2",      1, NULL, 0 }, | 
| 147 | + | { "sele3",      1, NULL, 0 }, | 
| 148 |  | { "refsele",    1, NULL, 0 }, | 
| 149 | + | { "molname",    1, NULL, 0 }, | 
| 150 | + | { "begin",      1, NULL, 0 }, | 
| 151 | + | { "end",        1, NULL, 0 }, | 
| 152 |  | { "gofr",       0, NULL, 0 }, | 
| 153 |  | { "r_theta",    0, NULL, 0 }, | 
| 154 |  | { "r_omega",    0, NULL, 0 }, | 
| 155 |  | { "theta_omega",        0, NULL, 0 }, | 
| 156 |  | { "gxyz",       0, NULL, 0 }, | 
| 157 | + | { "p2", 0, NULL, 0 }, | 
| 158 | + | { "scd",        0, NULL, 0 }, | 
| 159 | + | { "density",    0, NULL, 0 }, | 
| 160 |  | { NULL, 0, NULL, 0 } | 
| 161 |  | }; | 
| 162 |  |  | 
| 245 |  |  | 
| 246 |  |  | 
| 247 |  | case 0: /* Long option with no short option */ | 
| 248 | < | /* select first stuntdouble set.  */ | 
| 248 | > | /* select the first stuntdouble set.  */ | 
| 249 |  | if (strcmp (long_options[option_index].name, "sele1") == 0) | 
| 250 |  | { | 
| 251 |  | if (args_info->sele1_given) | 
| 259 |  | break; | 
| 260 |  | } | 
| 261 |  |  | 
| 262 | < | /* select second stuntdouble set.  */ | 
| 262 | > | /* select the second stuntdouble set.  */ | 
| 263 |  | else if (strcmp (long_options[option_index].name, "sele2") == 0) | 
| 264 |  | { | 
| 265 |  | if (args_info->sele2_given) | 
| 273 |  | break; | 
| 274 |  | } | 
| 275 |  |  | 
| 276 | + | /* select the third stuntdouble set.  */ | 
| 277 | + | else if (strcmp (long_options[option_index].name, "sele3") == 0) | 
| 278 | + | { | 
| 279 | + | if (args_info->sele3_given) | 
| 280 | + | { | 
| 281 | + | fprintf (stderr, "%s: `--sele3' option given more than once\n", CMDLINE_PARSER_PACKAGE); | 
| 282 | + | clear_args (); | 
| 283 | + | exit (EXIT_FAILURE); | 
| 284 | + | } | 
| 285 | + | args_info->sele3_given = 1; | 
| 286 | + | args_info->sele3_arg = gengetopt_strdup (optarg); | 
| 287 | + | break; | 
| 288 | + | } | 
| 289 | + |  | 
| 290 |  | /* select reference (use and only use with --gxyz).  */ | 
| 291 |  | else if (strcmp (long_options[option_index].name, "refsele") == 0) | 
| 292 |  | { | 
| 301 |  | break; | 
| 302 |  | } | 
| 303 |  |  | 
| 304 | + | /* molecule name.  */ | 
| 305 | + | else if (strcmp (long_options[option_index].name, "molname") == 0) | 
| 306 | + | { | 
| 307 | + | if (args_info->molname_given) | 
| 308 | + | { | 
| 309 | + | fprintf (stderr, "%s: `--molname' option given more than once\n", CMDLINE_PARSER_PACKAGE); | 
| 310 | + | clear_args (); | 
| 311 | + | exit (EXIT_FAILURE); | 
| 312 | + | } | 
| 313 | + | args_info->molname_given = 1; | 
| 314 | + | args_info->molname_arg = gengetopt_strdup (optarg); | 
| 315 | + | break; | 
| 316 | + | } | 
| 317 | + |  | 
| 318 | + | /* begin interanl index.  */ | 
| 319 | + | else if (strcmp (long_options[option_index].name, "begin") == 0) | 
| 320 | + | { | 
| 321 | + | if (args_info->begin_given) | 
| 322 | + | { | 
| 323 | + | fprintf (stderr, "%s: `--begin' option given more than once\n", CMDLINE_PARSER_PACKAGE); | 
| 324 | + | clear_args (); | 
| 325 | + | exit (EXIT_FAILURE); | 
| 326 | + | } | 
| 327 | + | args_info->begin_given = 1; | 
| 328 | + | args_info->begin_arg = strtol (optarg,&stop_char,0); | 
| 329 | + | break; | 
| 330 | + | } | 
| 331 | + |  | 
| 332 | + | /* end internal index.  */ | 
| 333 | + | else if (strcmp (long_options[option_index].name, "end") == 0) | 
| 334 | + | { | 
| 335 | + | if (args_info->end_given) | 
| 336 | + | { | 
| 337 | + | fprintf (stderr, "%s: `--end' option given more than once\n", CMDLINE_PARSER_PACKAGE); | 
| 338 | + | clear_args (); | 
| 339 | + | exit (EXIT_FAILURE); | 
| 340 | + | } | 
| 341 | + | args_info->end_given = 1; | 
| 342 | + | args_info->end_arg = strtol (optarg,&stop_char,0); | 
| 343 | + | break; | 
| 344 | + | } | 
| 345 | + |  | 
| 346 |  | /* g(r).  */ | 
| 347 |  | else if (strcmp (long_options[option_index].name, "gofr") == 0) | 
| 348 |  | { | 
| 413 |  | break; | 
| 414 |  | } | 
| 415 |  |  | 
| 416 | + | /* p2 order parameter (--sele1 and --sele2 must be specified).  */ | 
| 417 | + | else if (strcmp (long_options[option_index].name, "p2") == 0) | 
| 418 | + | { | 
| 419 | + | if (args_info->p2_given) | 
| 420 | + | { | 
| 421 | + | fprintf (stderr, "%s: `--p2' option given more than once\n", CMDLINE_PARSER_PACKAGE); | 
| 422 | + | clear_args (); | 
| 423 | + | exit (EXIT_FAILURE); | 
| 424 | + | } | 
| 425 | + | args_info->p2_given = 1; staticProps_group_counter += 1; | 
| 426 | + |  | 
| 427 | + | break; | 
| 428 | + | } | 
| 429 | + |  | 
| 430 | + | /* scd order parameter(either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified).  */ | 
| 431 | + | else if (strcmp (long_options[option_index].name, "scd") == 0) | 
| 432 | + | { | 
| 433 | + | if (args_info->scd_given) | 
| 434 | + | { | 
| 435 | + | fprintf (stderr, "%s: `--scd' option given more than once\n", CMDLINE_PARSER_PACKAGE); | 
| 436 | + | clear_args (); | 
| 437 | + | exit (EXIT_FAILURE); | 
| 438 | + | } | 
| 439 | + | args_info->scd_given = 1; staticProps_group_counter += 1; | 
| 440 | + |  | 
| 441 | + | break; | 
| 442 | + | } | 
| 443 | + |  | 
| 444 | + | /* density plot (--sele1 must be specified).  */ | 
| 445 | + | else if (strcmp (long_options[option_index].name, "density") == 0) | 
| 446 | + | { | 
| 447 | + | if (args_info->density_given) | 
| 448 | + | { | 
| 449 | + | fprintf (stderr, "%s: `--density' option given more than once\n", CMDLINE_PARSER_PACKAGE); | 
| 450 | + | clear_args (); | 
| 451 | + | exit (EXIT_FAILURE); | 
| 452 | + | } | 
| 453 | + | args_info->density_given = 1; staticProps_group_counter += 1; | 
| 454 | + |  | 
| 455 | + | break; | 
| 456 | + | } | 
| 457 | + |  | 
| 458 |  |  | 
| 459 |  | case '?':       /* Invalid option.  */ | 
| 460 |  | /* `getopt_long' already printed an error message.  */ |