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root/OpenMD/trunk/src/applications/dynamicProps/DynamicPropsCmd.cpp
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Comparing trunk/src/applications/dynamicProps/DynamicPropsCmd.c (file contents):
Revision 917 by tim, Fri Mar 24 17:29:07 2006 UTC vs.
Revision 1213 by xsun, Wed Jan 23 21:21:50 2008 UTC

# Line 1 | Line 1
1   /*
2 <  File autogenerated by gengetopt version 2.11
2 >  File autogenerated by gengetopt version 2.19.1
3    generated with the following command:
4 <  /home/maul/gezelter/tim/program/gengetopt-2.11/src/gengetopt -F DynamicPropsCmd
4 >  gengetopt -F DynamicPropsCmd
5  
6    The developers of gengetopt consider the fixed text that goes in all
7    gengetopt output files to be in the public domain:
8    we make no copyright claims on it.
9   */
10  
11 –
12 – #include <stdio.h>
13 – #include <stdlib.h>
14 – #include <string.h>
15 –
11   /* If we use autoconf.  */
12   #ifdef HAVE_CONFIG_H
13   #include "config.h"
14   #endif
15  
16 + #include <stdio.h>
17 + #include <stdlib.h>
18 + #include <string.h>
19 +
20   #include "getopt.h"
21  
22   #include "DynamicPropsCmd.h"
23  
24 + const char *gengetopt_args_info_purpose = "";
25 +
26 + const char *gengetopt_args_info_usage = "Usage: DynamicProps [OPTIONS]...";
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 +  "      --sele1=selection script  select first stuntdouble set",
36 +  "      --sele2=selection script  select second stuntdouble set (if sele2 is not \n                                  set, use script from sele1)",
37 +  "      --order=INT               Lengendre Polynomial Order",
38 +  "\n Group: dynamicProps\n   an option of this group is required",
39 +  "  -r, --rcorr                   rmsd",
40 +  "  -v, --vcorr                   velocity correlation function",
41 +  "  -d, --dcorr                   dipole correlation function",
42 +  "  -l, --lcorr                   Lengendre correlation function",
43 +  "      --r_rcorr                 Radial rmsd",
44 +  "      --thetacorr               Angular rmsd",
45 +  "      --drcorr                  Directional rmsd for particles with unit \n                                  vectors",
46 +    0
47 + };
48 +
49 + static
50 + void clear_given (struct gengetopt_args_info *args_info);
51 + static
52 + void clear_args (struct gengetopt_args_info *args_info);
53 +
54 + static int
55 + cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required, const char *additional_error);
56 +
57 + static int
58 + cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error);
59 +
60 + static char *
61 + gengetopt_strdup (const char *s);
62 +
63 + static
64 + void clear_given (struct gengetopt_args_info *args_info)
65 + {
66 +  args_info->help_given = 0 ;
67 +  args_info->version_given = 0 ;
68 +  args_info->input_given = 0 ;
69 +  args_info->output_given = 0 ;
70 +  args_info->sele1_given = 0 ;
71 +  args_info->sele2_given = 0 ;
72 +  args_info->order_given = 0 ;
73 +  args_info->rcorr_given = 0 ;
74 +  args_info->vcorr_given = 0 ;
75 +  args_info->dcorr_given = 0 ;
76 +  args_info->lcorr_given = 0 ;
77 +  args_info->r_rcorr_given = 0 ;
78 +  args_info->thetacorr_given = 0 ;
79 +  args_info->drcorr_given = 0 ;
80 +  args_info->dynamicProps_group_counter = 0 ;
81 + }
82 +
83 + static
84 + void clear_args (struct gengetopt_args_info *args_info)
85 + {
86 +  args_info->input_arg = NULL;
87 +  args_info->input_orig = NULL;
88 +  args_info->output_arg = NULL;
89 +  args_info->output_orig = NULL;
90 +  args_info->sele1_arg = NULL;
91 +  args_info->sele1_orig = NULL;
92 +  args_info->sele2_arg = NULL;
93 +  args_info->sele2_orig = NULL;
94 +  args_info->order_orig = NULL;
95 +  
96 + }
97 +
98 + static
99 + void init_args_info(struct gengetopt_args_info *args_info)
100 + {
101 +  args_info->help_help = gengetopt_args_info_help[0] ;
102 +  args_info->version_help = gengetopt_args_info_help[1] ;
103 +  args_info->input_help = gengetopt_args_info_help[2] ;
104 +  args_info->output_help = gengetopt_args_info_help[3] ;
105 +  args_info->sele1_help = gengetopt_args_info_help[4] ;
106 +  args_info->sele2_help = gengetopt_args_info_help[5] ;
107 +  args_info->order_help = gengetopt_args_info_help[6] ;
108 +  args_info->rcorr_help = gengetopt_args_info_help[7] ;
109 +  args_info->vcorr_help = gengetopt_args_info_help[8] ;
110 +  args_info->dcorr_help = gengetopt_args_info_help[9] ;
111 +  args_info->lcorr_help = gengetopt_args_info_help[10] ;
112 +  args_info->r_rcorr_help = gengetopt_args_info_help[11] ;
113 +  args_info->thetacorr_help = gengetopt_args_info_help[12] ;
114 +  args_info->drcorr_help = gengetopt_args_info_help[13] ;
115 +  
116 + }
117 +
118   void
119   cmdline_parser_print_version (void)
120   {
# Line 31 | Line 124 | cmdline_parser_print_help (void)
124   void
125   cmdline_parser_print_help (void)
126   {
127 +  int i = 0;
128    cmdline_parser_print_version ();
129 <  printf("\n"
130 <  "Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE);
131 <  printf("\n");
132 <  printf("  -h, --help                    Print help and exit\n");
133 <  printf("  -V, --version                 Print version and exit\n");
134 <  printf("  -i, --input=filename          input dump file\n");
135 <  printf("  -o, --output=filename         output file name\n");
136 <  printf("      --sele1=selection script  select first stuntdouble set\n");
137 <  printf("      --sele2=selection script  select second stuntdouble set (if sele2 is not \n                                  set, use script from sele1)\n");
138 <  printf("      --order=INT               Lengendre Polynomial Order\n");
139 <  printf("\n");
46 <  printf(" Group: dynamicProps  an option of this group is required\n");
47 <  printf("  -r, --rcorr                   rmsd\n");
48 <  printf("  -v, --vcorr                   velocity correlation function\n");
49 <  printf("  -d, --dcorr                   dipole correlation function\n");
50 <  printf("  -l, --lcorr                   Lengendre correlation function\n");
129 >
130 >  if (strlen(gengetopt_args_info_purpose) > 0)
131 >    printf("\n%s\n", gengetopt_args_info_purpose);
132 >
133 >  printf("\n%s\n\n", gengetopt_args_info_usage);
134 >
135 >  if (strlen(gengetopt_args_info_description) > 0)
136 >    printf("%s\n", gengetopt_args_info_description);
137 >
138 >  while (gengetopt_args_info_help[i])
139 >    printf("%s\n", gengetopt_args_info_help[i++]);
140   }
141  
142 + void
143 + cmdline_parser_init (struct gengetopt_args_info *args_info)
144 + {
145 +  clear_given (args_info);
146 +  clear_args (args_info);
147 +  init_args_info (args_info);
148 + }
149  
150 < static char *gengetopt_strdup (const char *s);
150 > static void
151 > cmdline_parser_release (struct gengetopt_args_info *args_info)
152 > {
153 >  
154 >  if (args_info->input_arg)
155 >    {
156 >      free (args_info->input_arg); /* free previous argument */
157 >      args_info->input_arg = 0;
158 >    }
159 >  if (args_info->input_orig)
160 >    {
161 >      free (args_info->input_orig); /* free previous argument */
162 >      args_info->input_orig = 0;
163 >    }
164 >  if (args_info->output_arg)
165 >    {
166 >      free (args_info->output_arg); /* free previous argument */
167 >      args_info->output_arg = 0;
168 >    }
169 >  if (args_info->output_orig)
170 >    {
171 >      free (args_info->output_orig); /* free previous argument */
172 >      args_info->output_orig = 0;
173 >    }
174 >  if (args_info->sele1_arg)
175 >    {
176 >      free (args_info->sele1_arg); /* free previous argument */
177 >      args_info->sele1_arg = 0;
178 >    }
179 >  if (args_info->sele1_orig)
180 >    {
181 >      free (args_info->sele1_orig); /* free previous argument */
182 >      args_info->sele1_orig = 0;
183 >    }
184 >  if (args_info->sele2_arg)
185 >    {
186 >      free (args_info->sele2_arg); /* free previous argument */
187 >      args_info->sele2_arg = 0;
188 >    }
189 >  if (args_info->sele2_orig)
190 >    {
191 >      free (args_info->sele2_orig); /* free previous argument */
192 >      args_info->sele2_orig = 0;
193 >    }
194 >  if (args_info->order_orig)
195 >    {
196 >      free (args_info->order_orig); /* free previous argument */
197 >      args_info->order_orig = 0;
198 >    }
199 >  
200 >  clear_given (args_info);
201 > }
202  
203 + int
204 + cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info)
205 + {
206 +  FILE *outfile;
207 +  int i = 0;
208 +
209 +  outfile = fopen(filename, "w");
210 +
211 +  if (!outfile)
212 +    {
213 +      fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename);
214 +      return EXIT_FAILURE;
215 +    }
216 +
217 +  if (args_info->help_given) {
218 +    fprintf(outfile, "%s\n", "help");
219 +  }
220 +  if (args_info->version_given) {
221 +    fprintf(outfile, "%s\n", "version");
222 +  }
223 +  if (args_info->input_given) {
224 +    if (args_info->input_orig) {
225 +      fprintf(outfile, "%s=\"%s\"\n", "input", args_info->input_orig);
226 +    } else {
227 +      fprintf(outfile, "%s\n", "input");
228 +    }
229 +  }
230 +  if (args_info->output_given) {
231 +    if (args_info->output_orig) {
232 +      fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig);
233 +    } else {
234 +      fprintf(outfile, "%s\n", "output");
235 +    }
236 +  }
237 +  if (args_info->sele1_given) {
238 +    if (args_info->sele1_orig) {
239 +      fprintf(outfile, "%s=\"%s\"\n", "sele1", args_info->sele1_orig);
240 +    } else {
241 +      fprintf(outfile, "%s\n", "sele1");
242 +    }
243 +  }
244 +  if (args_info->sele2_given) {
245 +    if (args_info->sele2_orig) {
246 +      fprintf(outfile, "%s=\"%s\"\n", "sele2", args_info->sele2_orig);
247 +    } else {
248 +      fprintf(outfile, "%s\n", "sele2");
249 +    }
250 +  }
251 +  if (args_info->order_given) {
252 +    if (args_info->order_orig) {
253 +      fprintf(outfile, "%s=\"%s\"\n", "order", args_info->order_orig);
254 +    } else {
255 +      fprintf(outfile, "%s\n", "order");
256 +    }
257 +  }
258 +  if (args_info->rcorr_given) {
259 +    fprintf(outfile, "%s\n", "rcorr");
260 +  }
261 +  if (args_info->vcorr_given) {
262 +    fprintf(outfile, "%s\n", "vcorr");
263 +  }
264 +  if (args_info->dcorr_given) {
265 +    fprintf(outfile, "%s\n", "dcorr");
266 +  }
267 +  if (args_info->lcorr_given) {
268 +    fprintf(outfile, "%s\n", "lcorr");
269 +  }
270 +  if (args_info->r_rcorr_given) {
271 +    fprintf(outfile, "%s\n", "r_rcorr");
272 +  }
273 +  if (args_info->thetacorr_given) {
274 +    fprintf(outfile, "%s\n", "thetacorr");
275 +  }
276 +  if (args_info->drcorr_given) {
277 +    fprintf(outfile, "%s\n", "drcorr");
278 +  }
279 +  
280 +  fclose (outfile);
281 +
282 +  i = EXIT_SUCCESS;
283 +  return i;
284 + }
285 +
286 + void
287 + cmdline_parser_free (struct gengetopt_args_info *args_info)
288 + {
289 +  cmdline_parser_release (args_info);
290 + }
291 +
292 +
293   /* gengetopt_strdup() */
294   /* strdup.c replacement of strdup, which is not standard */
295   char *
296   gengetopt_strdup (const char *s)
297   {
298 <  char *result = (char*)malloc(strlen(s) + 1);
298 >  char *result = NULL;
299 >  if (!s)
300 >    return result;
301 >
302 >  result = (char*)malloc(strlen(s) + 1);
303    if (result == (char*)0)
304      return (char*)0;
305    strcpy(result, s);
306    return result;
307   }
308  
309 < int
310 < cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
309 > static void
310 > reset_group_dynamicProps(struct gengetopt_args_info *args_info);
311 >
312 > static void
313 > reset_group_dynamicProps(struct gengetopt_args_info *args_info)
314   {
315 <  int c;        /* Character of the parsed option.  */
316 <  int missing_required_options = 0;
73 <  int dynamicProps_group_counter = 0;
315 >  if (! args_info->dynamicProps_group_counter)
316 >    return;
317    
75 –
76 –  args_info->help_given = 0 ;
77 –  args_info->version_given = 0 ;
78 –  args_info->input_given = 0 ;
79 –  args_info->output_given = 0 ;
80 –  args_info->sele1_given = 0 ;
81 –  args_info->sele2_given = 0 ;
82 –  args_info->order_given = 0 ;
318    args_info->rcorr_given = 0 ;
319    args_info->vcorr_given = 0 ;
320    args_info->dcorr_given = 0 ;
321    args_info->lcorr_given = 0 ;
322 < #define clear_args() { \
323 <  args_info->input_arg = NULL; \
324 <  args_info->output_arg = NULL; \
325 <  args_info->sele1_arg = NULL; \
326 <  args_info->sele2_arg = NULL; \
322 >  args_info->r_rcorr_given = 0 ;
323 >  args_info->thetacorr_given = 0 ;
324 >  args_info->drcorr_given = 0 ;
325 >
326 >  args_info->dynamicProps_group_counter = 0;
327   }
328  
329 <  clear_args();
329 > int
330 > cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
331 > {
332 >  return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
333 > }
334  
335 + int
336 + cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
337 + {
338 +  int result;
339 +
340 +  result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL);
341 +
342 +  if (result == EXIT_FAILURE)
343 +    {
344 +      cmdline_parser_free (args_info);
345 +      exit (EXIT_FAILURE);
346 +    }
347 +  
348 +  return result;
349 + }
350 +
351 + int
352 + cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name)
353 + {
354 +  int result = EXIT_SUCCESS;
355 +
356 +  if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
357 +    result = EXIT_FAILURE;
358 +
359 +  if (result == EXIT_FAILURE)
360 +    {
361 +      cmdline_parser_free (args_info);
362 +      exit (EXIT_FAILURE);
363 +    }
364 +  
365 +  return result;
366 + }
367 +
368 + int
369 + cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
370 + {
371 +  int error = 0;
372 +
373 +  /* checks for required options */
374 +  if (! args_info->input_given)
375 +    {
376 +      fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : ""));
377 +      error = 1;
378 +    }
379 +  
380 +  if (args_info->dynamicProps_group_counter == 0)
381 +    {
382 +      fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required.%s\n", prog_name, args_info->dynamicProps_group_counter, (additional_error ? additional_error : ""));
383 +      error = 1;
384 +    }
385 +  
386 +
387 +  /* checks for dependences among options */
388 +
389 +  return error;
390 + }
391 +
392 + int
393 + cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required, const char *additional_error)
394 + {
395 +  int c;        /* Character of the parsed option.  */
396 +
397 +  int error = 0;
398 +  struct gengetopt_args_info local_args_info;
399 +
400 +  if (initialize)
401 +    cmdline_parser_init (args_info);
402 +
403 +  cmdline_parser_init (&local_args_info);
404 +
405    optarg = 0;
406 <  optind = 1;
406 >  optind = 0;
407    opterr = 1;
408    optopt = '?';
409  
# Line 115 | Line 424 | cmdline_parser (int argc, char * const *argv, struct g
424          { "vcorr",      0, NULL, 'v' },
425          { "dcorr",      0, NULL, 'd' },
426          { "lcorr",      0, NULL, 'l' },
427 +        { "r_rcorr",    0, NULL, 0 },
428 +        { "thetacorr",  0, NULL, 0 },
429 +        { "drcorr",     0, NULL, 0 },
430          { NULL, 0, NULL, 0 }
431        };
432  
# Line 126 | Line 438 | cmdline_parser (int argc, char * const *argv, struct g
438        switch (c)
439          {
440          case 'h':       /* Print help and exit.  */
129 –          clear_args ();
441            cmdline_parser_print_help ();
442 +          cmdline_parser_free (&local_args_info);
443            exit (EXIT_SUCCESS);
444  
445          case 'V':       /* Print version and exit.  */
134 –          clear_args ();
446            cmdline_parser_print_version ();
447 +          cmdline_parser_free (&local_args_info);
448            exit (EXIT_SUCCESS);
449  
450          case 'i':       /* input dump file.  */
451 <          if (args_info->input_given)
451 >          if (local_args_info.input_given)
452              {
453 <              fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE);
454 <              clear_args ();
143 <              exit (EXIT_FAILURE);
453 >              fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
454 >              goto failure;
455              }
456 +          if (args_info->input_given && ! override)
457 +            continue;
458 +          local_args_info.input_given = 1;
459            args_info->input_given = 1;
460 +          if (args_info->input_arg)
461 +            free (args_info->input_arg); /* free previous string */
462            args_info->input_arg = gengetopt_strdup (optarg);
463 +          if (args_info->input_orig)
464 +            free (args_info->input_orig); /* free previous string */
465 +          args_info->input_orig = gengetopt_strdup (optarg);
466            break;
467  
468          case 'o':       /* output file name.  */
469 <          if (args_info->output_given)
469 >          if (local_args_info.output_given)
470              {
471 <              fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE);
472 <              clear_args ();
154 <              exit (EXIT_FAILURE);
471 >              fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
472 >              goto failure;
473              }
474 +          if (args_info->output_given && ! override)
475 +            continue;
476 +          local_args_info.output_given = 1;
477            args_info->output_given = 1;
478 +          if (args_info->output_arg)
479 +            free (args_info->output_arg); /* free previous string */
480            args_info->output_arg = gengetopt_strdup (optarg);
481 +          if (args_info->output_orig)
482 +            free (args_info->output_orig); /* free previous string */
483 +          args_info->output_orig = gengetopt_strdup (optarg);
484            break;
485  
486          case 'r':       /* rmsd.  */
487 <          if (args_info->rcorr_given)
487 >          if (local_args_info.rcorr_given)
488              {
489 <              fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
490 <              clear_args ();
165 <              exit (EXIT_FAILURE);
489 >              fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
490 >              goto failure;
491              }
492 +          if (args_info->rcorr_given && ! override)
493 +            continue;
494 +          local_args_info.rcorr_given = 1;
495            args_info->rcorr_given = 1;
496 <          dynamicProps_group_counter += 1;
497 <        break;
496 >          if (args_info->dynamicProps_group_counter && override)
497 >            reset_group_dynamicProps (args_info);
498 >          args_info->dynamicProps_group_counter += 1;
499 >          break;
500  
501          case 'v':       /* velocity correlation function.  */
502 <          if (args_info->vcorr_given)
502 >          if (local_args_info.vcorr_given)
503              {
504 <              fprintf (stderr, "%s: `--vcorr' (`-v') option given more than once\n", CMDLINE_PARSER_PACKAGE);
505 <              clear_args ();
176 <              exit (EXIT_FAILURE);
504 >              fprintf (stderr, "%s: `--vcorr' (`-v') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
505 >              goto failure;
506              }
507 +          if (args_info->vcorr_given && ! override)
508 +            continue;
509 +          local_args_info.vcorr_given = 1;
510            args_info->vcorr_given = 1;
511 <          dynamicProps_group_counter += 1;
512 <        break;
511 >          if (args_info->dynamicProps_group_counter && override)
512 >            reset_group_dynamicProps (args_info);
513 >          args_info->dynamicProps_group_counter += 1;
514 >          break;
515  
516          case 'd':       /* dipole correlation function.  */
517 <          if (args_info->dcorr_given)
517 >          if (local_args_info.dcorr_given)
518              {
519 <              fprintf (stderr, "%s: `--dcorr' (`-d') option given more than once\n", CMDLINE_PARSER_PACKAGE);
520 <              clear_args ();
187 <              exit (EXIT_FAILURE);
519 >              fprintf (stderr, "%s: `--dcorr' (`-d') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
520 >              goto failure;
521              }
522 +          if (args_info->dcorr_given && ! override)
523 +            continue;
524 +          local_args_info.dcorr_given = 1;
525            args_info->dcorr_given = 1;
526 <          dynamicProps_group_counter += 1;
527 <        break;
526 >          if (args_info->dynamicProps_group_counter && override)
527 >            reset_group_dynamicProps (args_info);
528 >          args_info->dynamicProps_group_counter += 1;
529 >          break;
530  
531          case 'l':       /* Lengendre correlation function.  */
532 <          if (args_info->lcorr_given)
532 >          if (local_args_info.lcorr_given)
533              {
534 <              fprintf (stderr, "%s: `--lcorr' (`-l') option given more than once\n", CMDLINE_PARSER_PACKAGE);
535 <              clear_args ();
198 <              exit (EXIT_FAILURE);
534 >              fprintf (stderr, "%s: `--lcorr' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
535 >              goto failure;
536              }
537 +          if (args_info->lcorr_given && ! override)
538 +            continue;
539 +          local_args_info.lcorr_given = 1;
540            args_info->lcorr_given = 1;
541 <          dynamicProps_group_counter += 1;
542 <        break;
541 >          if (args_info->dynamicProps_group_counter && override)
542 >            reset_group_dynamicProps (args_info);
543 >          args_info->dynamicProps_group_counter += 1;
544 >          break;
545  
546  
547          case 0: /* Long option with no short option */
548            /* select first stuntdouble set.  */
549            if (strcmp (long_options[option_index].name, "sele1") == 0)
550            {
551 <            if (args_info->sele1_given)
551 >            if (local_args_info.sele1_given)
552                {
553 <                fprintf (stderr, "%s: `--sele1' option given more than once\n", CMDLINE_PARSER_PACKAGE);
554 <                clear_args ();
213 <                exit (EXIT_FAILURE);
553 >                fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
554 >                goto failure;
555                }
556 +            if (args_info->sele1_given && ! override)
557 +              continue;
558 +            local_args_info.sele1_given = 1;
559              args_info->sele1_given = 1;
560 +            if (args_info->sele1_arg)
561 +              free (args_info->sele1_arg); /* free previous string */
562              args_info->sele1_arg = gengetopt_strdup (optarg);
563 <            break;
563 >            if (args_info->sele1_orig)
564 >              free (args_info->sele1_orig); /* free previous string */
565 >            args_info->sele1_orig = gengetopt_strdup (optarg);
566            }
219 –          
567            /* select second stuntdouble set (if sele2 is not set, use script from sele1).  */
568            else if (strcmp (long_options[option_index].name, "sele2") == 0)
569            {
570 <            if (args_info->sele2_given)
570 >            if (local_args_info.sele2_given)
571                {
572 <                fprintf (stderr, "%s: `--sele2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
573 <                clear_args ();
227 <                exit (EXIT_FAILURE);
572 >                fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
573 >                goto failure;
574                }
575 +            if (args_info->sele2_given && ! override)
576 +              continue;
577 +            local_args_info.sele2_given = 1;
578              args_info->sele2_given = 1;
579 +            if (args_info->sele2_arg)
580 +              free (args_info->sele2_arg); /* free previous string */
581              args_info->sele2_arg = gengetopt_strdup (optarg);
582 <            break;
582 >            if (args_info->sele2_orig)
583 >              free (args_info->sele2_orig); /* free previous string */
584 >            args_info->sele2_orig = gengetopt_strdup (optarg);
585            }
233 –          
586            /* Lengendre Polynomial Order.  */
587            else if (strcmp (long_options[option_index].name, "order") == 0)
588            {
589 <            if (args_info->order_given)
589 >            if (local_args_info.order_given)
590                {
591 <                fprintf (stderr, "%s: `--order' option given more than once\n", CMDLINE_PARSER_PACKAGE);
592 <                clear_args ();
241 <                exit (EXIT_FAILURE);
591 >                fprintf (stderr, "%s: `--order' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
592 >                goto failure;
593                }
594 +            if (args_info->order_given && ! override)
595 +              continue;
596 +            local_args_info.order_given = 1;
597              args_info->order_given = 1;
598 <            args_info->order_arg = strtol (optarg,&stop_char,0);
598 >            args_info->order_arg = strtol (optarg, &stop_char, 0);
599 >            if (!(stop_char && *stop_char == '\0')) {
600 >              fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
601 >              goto failure;
602 >            }
603 >            if (args_info->order_orig)
604 >              free (args_info->order_orig); /* free previous string */
605 >            args_info->order_orig = gengetopt_strdup (optarg);
606 >          }
607 >          /* Radial rmsd.  */
608 >          else if (strcmp (long_options[option_index].name, "r_rcorr") == 0)
609 >          {
610 >            if (local_args_info.r_rcorr_given)
611 >              {
612 >                fprintf (stderr, "%s: `--r_rcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
613 >                goto failure;
614 >              }
615 >            if (args_info->r_rcorr_given && ! override)
616 >              continue;
617 >            local_args_info.r_rcorr_given = 1;
618 >            args_info->r_rcorr_given = 1;
619 >            if (args_info->dynamicProps_group_counter && override)
620 >              reset_group_dynamicProps (args_info);
621 >            args_info->dynamicProps_group_counter += 1;
622              break;
623            }
624 +          /* Angular rmsd.  */
625 +          else if (strcmp (long_options[option_index].name, "thetacorr") == 0)
626 +          {
627 +            if (local_args_info.thetacorr_given)
628 +              {
629 +                fprintf (stderr, "%s: `--thetacorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
630 +                goto failure;
631 +              }
632 +            if (args_info->thetacorr_given && ! override)
633 +              continue;
634 +            local_args_info.thetacorr_given = 1;
635 +            args_info->thetacorr_given = 1;
636 +            if (args_info->dynamicProps_group_counter && override)
637 +              reset_group_dynamicProps (args_info);
638 +            args_info->dynamicProps_group_counter += 1;
639 +            break;
640 +          }
641 +          /* Directional rmsd for particles with unit vectors.  */
642 +          else if (strcmp (long_options[option_index].name, "drcorr") == 0)
643 +          {
644 +            if (local_args_info.drcorr_given)
645 +              {
646 +                fprintf (stderr, "%s: `--drcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
647 +                goto failure;
648 +              }
649 +            if (args_info->drcorr_given && ! override)
650 +              continue;
651 +            local_args_info.drcorr_given = 1;
652 +            args_info->drcorr_given = 1;
653 +            if (args_info->dynamicProps_group_counter && override)
654 +              reset_group_dynamicProps (args_info);
655 +            args_info->dynamicProps_group_counter += 1;
656 +            break;
657 +          }
658            
659 <
659 >          break;
660          case '?':       /* Invalid option.  */
661            /* `getopt_long' already printed an error message.  */
662 <          exit (EXIT_FAILURE);
662 >          goto failure;
663  
664          default:        /* bug: option not considered.  */
665 <          fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c);
665 >          fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : ""));
666            abort ();
667          } /* switch */
668      } /* while */
669  
670 <  if ( dynamicProps_group_counter != 1)
670 >  if (args_info->dynamicProps_group_counter > 1)
671      {
672 <      fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required\n", CMDLINE_PARSER_PACKAGE, dynamicProps_group_counter);
673 <      missing_required_options = 1;
672 >      fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required.%s\n", argv[0], args_info->dynamicProps_group_counter, (additional_error ? additional_error : ""));
673 >      error = 1;
674      }
675    
676  
677 <  if (! args_info->input_given)
677 >
678 >  if (check_required)
679      {
680 <      fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE);
269 <      missing_required_options = 1;
680 >      error += cmdline_parser_required2 (args_info, argv[0], additional_error);
681      }
271 –  if ( missing_required_options )
272 –    exit (EXIT_FAILURE);
682  
683 +  cmdline_parser_release (&local_args_info);
684 +
685 +  if ( error )
686 +    return (EXIT_FAILURE);
687 +
688    return 0;
689 +
690 + failure:
691 +  
692 +  cmdline_parser_release (&local_args_info);
693 +  return (EXIT_FAILURE);
694   }

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