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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 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 1183 by xsun, Tue Oct 2 12:05:25 2007 UTC

# Line 1 | Line 1
1   /*
2 <  File autogenerated by gengetopt version 2.11
2 >  File autogenerated by gengetopt version 2.16
3    generated with the following command:
4 <  /home/maul/gezelter/tim/bin/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 + static
25 + void clear_given (struct gengetopt_args_info *args_info);
26 + static
27 + void clear_args (struct gengetopt_args_info *args_info);
28 +
29 + static int
30 + 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);
31 +
32 + static int
33 + cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error);
34 +
35 + static char *
36 + gengetopt_strdup (const char *s);
37 +
38 + static
39 + void clear_given (struct gengetopt_args_info *args_info)
40 + {
41 +  args_info->help_given = 0 ;
42 +  args_info->version_given = 0 ;
43 +  args_info->input_given = 0 ;
44 +  args_info->output_given = 0 ;
45 +  args_info->sele1_given = 0 ;
46 +  args_info->sele2_given = 0 ;
47 +  args_info->order_given = 0 ;
48 +  args_info->rcorr_given = 0 ;
49 +  args_info->vcorr_given = 0 ;
50 +  args_info->dcorr_given = 0 ;
51 +  args_info->lcorr_given = 0 ;
52 +  args_info->r_rcorr_given = 0 ;
53 +  args_info->thetacorr_given = 0 ;
54 +  args_info->actioncorr_given = 0 ;
55 +  args_info->drcorr_given = 0 ;
56 +  args_info->dynamicProps_group_counter = 0 ;
57 + }
58 +
59 + static
60 + void clear_args (struct gengetopt_args_info *args_info)
61 + {
62 +  args_info->input_arg = NULL;
63 +  args_info->input_orig = NULL;
64 +  args_info->output_arg = NULL;
65 +  args_info->output_orig = NULL;
66 +  args_info->sele1_arg = NULL;
67 +  args_info->sele1_orig = NULL;
68 +  args_info->sele2_arg = NULL;
69 +  args_info->sele2_orig = NULL;
70 +  args_info->order_orig = NULL;
71 +  
72 + }
73 +
74   void
75   cmdline_parser_print_version (void)
76   {
# Line 32 | Line 81 | cmdline_parser_print_help (void)
81   cmdline_parser_print_help (void)
82   {
83    cmdline_parser_print_version ();
84 <  printf("\n"
85 <         "Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE);
86 <  printf("\n");
87 <  printf("  -h, --help                    Print help and exit\n");
88 <  printf("  -V, --version                 Print version and exit\n");
89 <  printf("  -i, --input=filename          input dump file\n");
90 <  printf("  -o, --output=filename         output file name\n");
91 <  printf("      --sele1=selection script  select first stuntdouble set\n");
92 <  printf("      --sele2=selection script  select second stuntdouble set (if sele2 is not \n                                  set, use script from sele1)\n");
93 <  printf("\n");
94 <  printf(" Group: dynamicProps  an option of this group is required\n");
95 <  printf("  -r, --rcorr                   rmsd\n");
96 <  printf("  -v, --vcorr                   velocity correlation function\n");
97 <  printf("  -d, --dcorr                   dipole correlation function\n");
84 >  printf("\nUsage: DynamicProps [OPTIONS]...\n\n");
85 >  printf("%s\n","  -h, --help                    Print help and exit");
86 >  printf("%s\n","  -V, --version                 Print version and exit");
87 >  printf("%s\n","  -i, --input=filename          input dump file");
88 >  printf("%s\n","  -o, --output=filename         output file name");
89 >  printf("%s\n","      --sele1=selection script  select first stuntdouble set");
90 >  printf("%s\n","      --sele2=selection script  select second stuntdouble set (if sele2 is not \n                                  set, use script from sele1)");
91 >  printf("%s\n","      --order=INT               Lengendre Polynomial Order");
92 >  printf("%s\n","\n Group: dynamicProps\n   an option of this group is required");
93 >  printf("%s\n","  -r, --rcorr                   rmsd");
94 >  printf("%s\n","  -v, --vcorr                   velocity correlation function");
95 >  printf("%s\n","  -d, --dcorr                   dipole correlation function");
96 >  printf("%s\n","  -l, --lcorr                   Lengendre correlation function");
97 >  printf("%s\n","      --r_rcorr                 Radial rmsd");
98 >  printf("%s\n","      --thetacorr               Angular rmsd");
99 >  printf("%s\n","      --actioncorr              Action correlation function");
100 >  printf("%s\n","      --drcorr                  Directional rmsd for particles with unit \n                                  vectors");
101 >  
102   }
103  
104 + void
105 + cmdline_parser_init (struct gengetopt_args_info *args_info)
106 + {
107 +  clear_given (args_info);
108 +  clear_args (args_info);
109 + }
110  
111 < static char *gengetopt_strdup (const char *s);
111 > static void
112 > cmdline_parser_release (struct gengetopt_args_info *args_info)
113 > {
114 >  
115 >  if (args_info->input_arg)
116 >    {
117 >      free (args_info->input_arg); /* free previous argument */
118 >      args_info->input_arg = 0;
119 >    }
120 >  if (args_info->input_orig)
121 >    {
122 >      free (args_info->input_orig); /* free previous argument */
123 >      args_info->input_orig = 0;
124 >    }
125 >  if (args_info->output_arg)
126 >    {
127 >      free (args_info->output_arg); /* free previous argument */
128 >      args_info->output_arg = 0;
129 >    }
130 >  if (args_info->output_orig)
131 >    {
132 >      free (args_info->output_orig); /* free previous argument */
133 >      args_info->output_orig = 0;
134 >    }
135 >  if (args_info->sele1_arg)
136 >    {
137 >      free (args_info->sele1_arg); /* free previous argument */
138 >      args_info->sele1_arg = 0;
139 >    }
140 >  if (args_info->sele1_orig)
141 >    {
142 >      free (args_info->sele1_orig); /* free previous argument */
143 >      args_info->sele1_orig = 0;
144 >    }
145 >  if (args_info->sele2_arg)
146 >    {
147 >      free (args_info->sele2_arg); /* free previous argument */
148 >      args_info->sele2_arg = 0;
149 >    }
150 >  if (args_info->sele2_orig)
151 >    {
152 >      free (args_info->sele2_orig); /* free previous argument */
153 >      args_info->sele2_orig = 0;
154 >    }
155 >  if (args_info->order_orig)
156 >    {
157 >      free (args_info->order_orig); /* free previous argument */
158 >      args_info->order_orig = 0;
159 >    }
160 >  
161 >  clear_given (args_info);
162 > }
163  
164 + int
165 + cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info)
166 + {
167 +  FILE *outfile;
168 +  int i = 0;
169 +
170 +  outfile = fopen(filename, "w");
171 +
172 +  if (!outfile)
173 +    {
174 +      fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename);
175 +      return EXIT_FAILURE;
176 +    }
177 +
178 +  if (args_info->help_given) {
179 +    fprintf(outfile, "%s\n", "help");
180 +  }
181 +  if (args_info->version_given) {
182 +    fprintf(outfile, "%s\n", "version");
183 +  }
184 +  if (args_info->input_given) {
185 +    if (args_info->input_orig) {
186 +      fprintf(outfile, "%s=\"%s\"\n", "input", args_info->input_orig);
187 +    } else {
188 +      fprintf(outfile, "%s\n", "input");
189 +    }
190 +  }
191 +  if (args_info->output_given) {
192 +    if (args_info->output_orig) {
193 +      fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig);
194 +    } else {
195 +      fprintf(outfile, "%s\n", "output");
196 +    }
197 +  }
198 +  if (args_info->sele1_given) {
199 +    if (args_info->sele1_orig) {
200 +      fprintf(outfile, "%s=\"%s\"\n", "sele1", args_info->sele1_orig);
201 +    } else {
202 +      fprintf(outfile, "%s\n", "sele1");
203 +    }
204 +  }
205 +  if (args_info->sele2_given) {
206 +    if (args_info->sele2_orig) {
207 +      fprintf(outfile, "%s=\"%s\"\n", "sele2", args_info->sele2_orig);
208 +    } else {
209 +      fprintf(outfile, "%s\n", "sele2");
210 +    }
211 +  }
212 +  if (args_info->order_given) {
213 +    if (args_info->order_orig) {
214 +      fprintf(outfile, "%s=\"%s\"\n", "order", args_info->order_orig);
215 +    } else {
216 +      fprintf(outfile, "%s\n", "order");
217 +    }
218 +  }
219 +  if (args_info->rcorr_given) {
220 +    fprintf(outfile, "%s\n", "rcorr");
221 +  }
222 +  if (args_info->vcorr_given) {
223 +    fprintf(outfile, "%s\n", "vcorr");
224 +  }
225 +  if (args_info->dcorr_given) {
226 +    fprintf(outfile, "%s\n", "dcorr");
227 +  }
228 +  if (args_info->lcorr_given) {
229 +    fprintf(outfile, "%s\n", "lcorr");
230 +  }
231 +  if (args_info->r_rcorr_given) {
232 +    fprintf(outfile, "%s\n", "r_rcorr");
233 +  }
234 +  if (args_info->thetacorr_given) {
235 +    fprintf(outfile, "%s\n", "thetacorr");
236 +  }
237 +  if (args_info->actioncorr_given) {
238 +    fprintf(outfile, "%s\n", "actioncorr");
239 +  }
240 +  if (args_info->drcorr_given) {
241 +    fprintf(outfile, "%s\n", "drcorr");
242 +  }
243 +  
244 +  fclose (outfile);
245 +
246 +  i = EXIT_SUCCESS;
247 +  return i;
248 + }
249 +
250 + void
251 + cmdline_parser_free (struct gengetopt_args_info *args_info)
252 + {
253 +  cmdline_parser_release (args_info);
254 + }
255 +
256 +
257   /* gengetopt_strdup() */
258   /* strdup.c replacement of strdup, which is not standard */
259   char *
260   gengetopt_strdup (const char *s)
261   {
262 <  char *result = (char*)malloc(strlen(s) + 1);
262 >  char *result = NULL;
263 >  if (!s)
264 >    return result;
265 >
266 >  result = (char*)malloc(strlen(s) + 1);
267    if (result == (char*)0)
268      return (char*)0;
269    strcpy(result, s);
270    return result;
271   }
272  
273 < int
274 < cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
273 > static void
274 > reset_group_dynamicProps(struct gengetopt_args_info *args_info);
275 >
276 > static void
277 > reset_group_dynamicProps(struct gengetopt_args_info *args_info)
278   {
279 <  int c;        /* Character of the parsed option.  */
280 <  int missing_required_options = 0;
71 <  int dynamicProps_group_counter = 0;
279 >  if (! args_info->dynamicProps_group_counter)
280 >    return;
281    
73 –
74 –  args_info->help_given = 0 ;
75 –  args_info->version_given = 0 ;
76 –  args_info->input_given = 0 ;
77 –  args_info->output_given = 0 ;
78 –  args_info->sele1_given = 0 ;
79 –  args_info->sele2_given = 0 ;
282    args_info->rcorr_given = 0 ;
283    args_info->vcorr_given = 0 ;
284    args_info->dcorr_given = 0 ;
285 < #define clear_args() {                          \
286 <    args_info->input_arg = NULL;                \
287 <    args_info->output_arg = NULL;               \
288 <    args_info->sele1_arg = NULL;                \
289 <    args_info->sele2_arg = NULL;                \
88 <  }
285 >  args_info->lcorr_given = 0 ;
286 >  args_info->r_rcorr_given = 0 ;
287 >  args_info->thetacorr_given = 0 ;
288 >  args_info->actioncorr_given = 0 ;
289 >  args_info->drcorr_given = 0 ;
290  
291 <  clear_args();
291 >  args_info->dynamicProps_group_counter = 0;
292 > }
293  
294 + int
295 + cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
296 + {
297 +  return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
298 + }
299 +
300 + int
301 + cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
302 + {
303 +  int result;
304 +
305 +  result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL);
306 +
307 +  if (result == EXIT_FAILURE)
308 +    {
309 +      cmdline_parser_free (args_info);
310 +      exit (EXIT_FAILURE);
311 +    }
312 +  
313 +  return result;
314 + }
315 +
316 + int
317 + cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name)
318 + {
319 +  int result = EXIT_SUCCESS;
320 +
321 +  if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
322 +    result = EXIT_FAILURE;
323 +
324 +  if (result == EXIT_FAILURE)
325 +    {
326 +      cmdline_parser_free (args_info);
327 +      exit (EXIT_FAILURE);
328 +    }
329 +  
330 +  return result;
331 + }
332 +
333 + int
334 + cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
335 + {
336 +  int error = 0;
337 +
338 +  if (! args_info->input_given)
339 +    {
340 +      fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : ""));
341 +      error = 1;
342 +    }
343 +  if (args_info->dynamicProps_group_counter == 0)
344 +    {
345 +      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 : ""));
346 +      error = 1;
347 +    }
348 +  
349 +
350 +  return error;
351 + }
352 +
353 + int
354 + 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)
355 + {
356 +  int c;        /* Character of the parsed option.  */
357 +
358 +  int error = 0;
359 +  struct gengetopt_args_info local_args_info;
360 +
361 +  if (initialize)
362 +    cmdline_parser_init (args_info);
363 +
364 +  cmdline_parser_init (&local_args_info);
365 +
366    optarg = 0;
367 <  optind = 1;
367 >  optind = 0;
368    opterr = 1;
369    optopt = '?';
370  
# Line 106 | Line 380 | cmdline_parser (int argc, char * const *argv, struct g
380          { "output",     1, NULL, 'o' },
381          { "sele1",      1, NULL, 0 },
382          { "sele2",      1, NULL, 0 },
383 +        { "order",      1, NULL, 0 },
384          { "rcorr",      0, NULL, 'r' },
385          { "vcorr",      0, NULL, 'v' },
386          { "dcorr",      0, NULL, 'd' },
387 +        { "lcorr",      0, NULL, 'l' },
388 +        { "r_rcorr",    0, NULL, 0 },
389 +        { "thetacorr",  0, NULL, 0 },
390 +        { "actioncorr", 0, NULL, 0 },
391 +        { "drcorr",     0, NULL, 0 },
392          { NULL, 0, NULL, 0 }
393        };
394  
395        stop_char = 0;
396 <      c = getopt_long (argc, argv, "hVi:o:rvd", long_options, &option_index);
396 >      c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index);
397  
398        if (c == -1) break;       /* Exit from `while (1)' loop.  */
399  
400        switch (c)
401          {
402          case 'h':       /* Print help and exit.  */
123 –          clear_args ();
403            cmdline_parser_print_help ();
404 +          cmdline_parser_free (&local_args_info);
405            exit (EXIT_SUCCESS);
406  
407          case 'V':       /* Print version and exit.  */
128 –          clear_args ();
408            cmdline_parser_print_version ();
409 +          cmdline_parser_free (&local_args_info);
410            exit (EXIT_SUCCESS);
411  
412          case 'i':       /* input dump file.  */
413 <          if (args_info->input_given)
413 >          if (local_args_info.input_given)
414              {
415 <              fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE);
416 <              clear_args ();
137 <              exit (EXIT_FAILURE);
415 >              fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
416 >              goto failure;
417              }
418 +          if (args_info->input_given && ! override)
419 +            continue;
420 +          local_args_info.input_given = 1;
421            args_info->input_given = 1;
422 +          if (args_info->input_arg)
423 +            free (args_info->input_arg); /* free previous string */
424            args_info->input_arg = gengetopt_strdup (optarg);
425 +          if (args_info->input_orig)
426 +            free (args_info->input_orig); /* free previous string */
427 +          args_info->input_orig = gengetopt_strdup (optarg);
428            break;
429  
430          case 'o':       /* output file name.  */
431 <          if (args_info->output_given)
431 >          if (local_args_info.output_given)
432              {
433 <              fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE);
434 <              clear_args ();
148 <              exit (EXIT_FAILURE);
433 >              fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
434 >              goto failure;
435              }
436 +          if (args_info->output_given && ! override)
437 +            continue;
438 +          local_args_info.output_given = 1;
439            args_info->output_given = 1;
440 +          if (args_info->output_arg)
441 +            free (args_info->output_arg); /* free previous string */
442            args_info->output_arg = gengetopt_strdup (optarg);
443 +          if (args_info->output_orig)
444 +            free (args_info->output_orig); /* free previous string */
445 +          args_info->output_orig = gengetopt_strdup (optarg);
446            break;
447  
448          case 'r':       /* rmsd.  */
449 <          if (args_info->rcorr_given)
449 >          if (local_args_info.rcorr_given)
450              {
451 <              fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
452 <              clear_args ();
159 <              exit (EXIT_FAILURE);
451 >              fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
452 >              goto failure;
453              }
454 +          if (args_info->rcorr_given && ! override)
455 +            continue;
456 +          local_args_info.rcorr_given = 1;
457            args_info->rcorr_given = 1;
458 <          dynamicProps_group_counter += 1;
459 <          break;
458 >          if (args_info->dynamicProps_group_counter && override)
459 >            reset_group_dynamicProps (args_info);
460 >          args_info->dynamicProps_group_counter += 1;
461 >          break;
462  
463          case 'v':       /* velocity correlation function.  */
464 <          if (args_info->vcorr_given)
464 >          if (local_args_info.vcorr_given)
465              {
466 <              fprintf (stderr, "%s: `--vcorr' (`-v') option given more than once\n", CMDLINE_PARSER_PACKAGE);
467 <              clear_args ();
170 <              exit (EXIT_FAILURE);
466 >              fprintf (stderr, "%s: `--vcorr' (`-v') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
467 >              goto failure;
468              }
469 +          if (args_info->vcorr_given && ! override)
470 +            continue;
471 +          local_args_info.vcorr_given = 1;
472            args_info->vcorr_given = 1;
473 <          dynamicProps_group_counter += 1;
474 <          break;
473 >          if (args_info->dynamicProps_group_counter && override)
474 >            reset_group_dynamicProps (args_info);
475 >          args_info->dynamicProps_group_counter += 1;
476 >          break;
477  
478          case 'd':       /* dipole correlation function.  */
479 <          if (args_info->dcorr_given)
479 >          if (local_args_info.dcorr_given)
480              {
481 <              fprintf (stderr, "%s: `--dcorr' (`-d') option given more than once\n", CMDLINE_PARSER_PACKAGE);
482 <              clear_args ();
181 <              exit (EXIT_FAILURE);
481 >              fprintf (stderr, "%s: `--dcorr' (`-d') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
482 >              goto failure;
483              }
484 +          if (args_info->dcorr_given && ! override)
485 +            continue;
486 +          local_args_info.dcorr_given = 1;
487            args_info->dcorr_given = 1;
488 <          dynamicProps_group_counter += 1;
489 <          break;
488 >          if (args_info->dynamicProps_group_counter && override)
489 >            reset_group_dynamicProps (args_info);
490 >          args_info->dynamicProps_group_counter += 1;
491 >          break;
492  
493 +        case 'l':       /* Lengendre correlation function.  */
494 +          if (local_args_info.lcorr_given)
495 +            {
496 +              fprintf (stderr, "%s: `--lcorr' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
497 +              goto failure;
498 +            }
499 +          if (args_info->lcorr_given && ! override)
500 +            continue;
501 +          local_args_info.lcorr_given = 1;
502 +          args_info->lcorr_given = 1;
503 +          if (args_info->dynamicProps_group_counter && override)
504 +            reset_group_dynamicProps (args_info);
505 +          args_info->dynamicProps_group_counter += 1;
506 +          break;
507  
508 +
509          case 0: /* Long option with no short option */
510            /* select first stuntdouble set.  */
511            if (strcmp (long_options[option_index].name, "sele1") == 0)
512 <            {
513 <              if (args_info->sele1_given)
514 <                {
515 <                  fprintf (stderr, "%s: `--sele1' option given more than once\n", CMDLINE_PARSER_PACKAGE);
516 <                  clear_args ();
517 <                  exit (EXIT_FAILURE);
518 <                }
519 <              args_info->sele1_given = 1;
520 <              args_info->sele1_arg = gengetopt_strdup (optarg);
521 <              break;
522 <            }
523 <          
512 >          {
513 >            if (local_args_info.sele1_given)
514 >              {
515 >                fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
516 >                goto failure;
517 >              }
518 >            if (args_info->sele1_given && ! override)
519 >              continue;
520 >            local_args_info.sele1_given = 1;
521 >            args_info->sele1_given = 1;
522 >            if (args_info->sele1_arg)
523 >              free (args_info->sele1_arg); /* free previous string */
524 >            args_info->sele1_arg = gengetopt_strdup (optarg);
525 >            if (args_info->sele1_orig)
526 >              free (args_info->sele1_orig); /* free previous string */
527 >            args_info->sele1_orig = gengetopt_strdup (optarg);
528 >          }
529            /* select second stuntdouble set (if sele2 is not set, use script from sele1).  */
530            else if (strcmp (long_options[option_index].name, "sele2") == 0)
531 <            {
532 <              if (args_info->sele2_given)
533 <                {
534 <                  fprintf (stderr, "%s: `--sele2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
535 <                  clear_args ();
536 <                  exit (EXIT_FAILURE);
537 <                }
538 <              args_info->sele2_given = 1;
539 <              args_info->sele2_arg = gengetopt_strdup (optarg);
540 <              break;
541 <            }
531 >          {
532 >            if (local_args_info.sele2_given)
533 >              {
534 >                fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
535 >                goto failure;
536 >              }
537 >            if (args_info->sele2_given && ! override)
538 >              continue;
539 >            local_args_info.sele2_given = 1;
540 >            args_info->sele2_given = 1;
541 >            if (args_info->sele2_arg)
542 >              free (args_info->sele2_arg); /* free previous string */
543 >            args_info->sele2_arg = gengetopt_strdup (optarg);
544 >            if (args_info->sele2_orig)
545 >              free (args_info->sele2_orig); /* free previous string */
546 >            args_info->sele2_orig = gengetopt_strdup (optarg);
547 >          }
548 >          /* Lengendre Polynomial Order.  */
549 >          else if (strcmp (long_options[option_index].name, "order") == 0)
550 >          {
551 >            if (local_args_info.order_given)
552 >              {
553 >                fprintf (stderr, "%s: `--order' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
554 >                goto failure;
555 >              }
556 >            if (args_info->order_given && ! override)
557 >              continue;
558 >            local_args_info.order_given = 1;
559 >            args_info->order_given = 1;
560 >            args_info->order_arg = strtol (optarg, &stop_char, 0);
561 >            if (!(stop_char && *stop_char == '\0')) {
562 >              fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
563 >              goto failure;
564 >            }
565 >            if (args_info->order_orig)
566 >              free (args_info->order_orig); /* free previous string */
567 >            args_info->order_orig = gengetopt_strdup (optarg);
568 >          }
569 >          /* Radial rmsd.  */
570 >          else if (strcmp (long_options[option_index].name, "r_rcorr") == 0)
571 >          {
572 >            if (local_args_info.r_rcorr_given)
573 >              {
574 >                fprintf (stderr, "%s: `--r_rcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
575 >                goto failure;
576 >              }
577 >            if (args_info->r_rcorr_given && ! override)
578 >              continue;
579 >            local_args_info.r_rcorr_given = 1;
580 >            args_info->r_rcorr_given = 1;
581 >            if (args_info->dynamicProps_group_counter && override)
582 >              reset_group_dynamicProps (args_info);
583 >            args_info->dynamicProps_group_counter += 1;
584 >            break;
585 >          }
586 >          /* Angular rmsd.  */
587 >          else if (strcmp (long_options[option_index].name, "thetacorr") == 0)
588 >          {
589 >            if (local_args_info.thetacorr_given)
590 >              {
591 >                fprintf (stderr, "%s: `--thetacorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
592 >                goto failure;
593 >              }
594 >            if (args_info->thetacorr_given && ! override)
595 >              continue;
596 >            local_args_info.thetacorr_given = 1;
597 >            args_info->thetacorr_given = 1;
598 >            if (args_info->dynamicProps_group_counter && override)
599 >              reset_group_dynamicProps (args_info);
600 >            args_info->dynamicProps_group_counter += 1;
601 >            break;
602 >          }
603 >          /* Action correlation function.  */
604 >          else if (strcmp (long_options[option_index].name, "actioncorr") == 0)
605 >          {
606 >            if (local_args_info.actioncorr_given)
607 >              {
608 >                fprintf (stderr, "%s: `--actioncorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
609 >                goto failure;
610 >              }
611 >            if (args_info->actioncorr_given && ! override)
612 >              continue;
613 >            local_args_info.actioncorr_given = 1;
614 >            args_info->actioncorr_given = 1;
615 >            if (args_info->dynamicProps_group_counter && override)
616 >              reset_group_dynamicProps (args_info);
617 >            args_info->dynamicProps_group_counter += 1;
618 >            break;
619 >          }
620 >          /* Directional rmsd for particles with unit vectors.  */
621 >          else if (strcmp (long_options[option_index].name, "drcorr") == 0)
622 >          {
623 >            if (local_args_info.drcorr_given)
624 >              {
625 >                fprintf (stderr, "%s: `--drcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
626 >                goto failure;
627 >              }
628 >            if (args_info->drcorr_given && ! override)
629 >              continue;
630 >            local_args_info.drcorr_given = 1;
631 >            args_info->drcorr_given = 1;
632 >            if (args_info->dynamicProps_group_counter && override)
633 >              reset_group_dynamicProps (args_info);
634 >            args_info->dynamicProps_group_counter += 1;
635 >            break;
636 >          }
637            
638 <
638 >          break;
639          case '?':       /* Invalid option.  */
640            /* `getopt_long' already printed an error message.  */
641 <          exit (EXIT_FAILURE);
641 >          goto failure;
642  
643          default:        /* bug: option not considered.  */
644 <          fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c);
644 >          fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : ""));
645            abort ();
646          } /* switch */
647      } /* while */
648  
649 <  if ( dynamicProps_group_counter != 1)
649 >  if (args_info->dynamicProps_group_counter > 1)
650      {
651 <      fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required\n", CMDLINE_PARSER_PACKAGE, dynamicProps_group_counter);
652 <      missing_required_options = 1;
651 >      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 : ""));
652 >      error = 1;
653      }
654    
655  
656 <  if (! args_info->input_given)
656 >
657 >  if (check_required)
658      {
659 <      fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE);
238 <      missing_required_options = 1;
659 >      error += cmdline_parser_required2 (args_info, argv[0], additional_error);
660      }
240 –  if ( missing_required_options )
241 –    exit (EXIT_FAILURE);
661  
662 +  cmdline_parser_release (&local_args_info);
663 +
664 +  if ( error )
665 +    return (EXIT_FAILURE);
666 +
667    return 0;
668 +
669 + failure:
670 +  
671 +  cmdline_parser_release (&local_args_info);
672 +  return (EXIT_FAILURE);
673   }

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