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root/OpenMD/trunk/src/applications/dynamicProps/DynamicPropsCmd.c
Revision: 1566
Committed: Thu May 19 18:12:09 2011 UTC (13 years, 11 months ago) by chuckv
Content type: text/plain
File size: 26258 byte(s)
Log Message:
Updated some bugs so dynamic props builds again. Stress Corr func is still a work in progress.

File Contents

# Content
1 /*
2 File autogenerated by gengetopt version 2.22.4
3 generated with the following command:
4 gengetopt
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 /* 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 #ifndef FIX_UNUSED
21 #define FIX_UNUSED(X) (void) (X) /* avoid warnings for unused params */
22 #endif
23
24 #include <getopt.h>
25
26 #include "DynamicPropsCmd.h"
27
28 const char *gengetopt_args_info_purpose = "";
29
30 const char *gengetopt_args_info_usage = "Usage: DynamicProps [OPTIONS]...";
31
32 const char *gengetopt_args_info_description = "";
33
34 const char *gengetopt_args_info_help[] = {
35 " -h, --help Print help and exit",
36 " -V, --version Print version and exit",
37 " -i, --input=filename input dump file",
38 " -o, --output=filename output file name",
39 " --sele1=selection script select first stuntdouble set",
40 " --sele2=selection script select second stuntdouble set (if sele2 is not \n set, use script from sele1)",
41 " --order=INT Lengendre Polynomial Order",
42 "\n Group: dynamicProps\n an option of this group is required",
43 " -r, --rcorr rmsd",
44 " -v, --vcorr velocity correlation function",
45 " -d, --dcorr dipole correlation function",
46 " -l, --lcorr Lengendre correlation function",
47 " --r_rcorr Radial rmsd",
48 " --thetacorr Angular rmsd",
49 " --drcorr Directional rmsd for particles with unit \n vectors",
50 " --helfandEcorr Helfand moment for thermal conductvity",
51 " --stresscorr Stress tensor correlation function",
52 0
53 };
54
55 typedef enum {ARG_NO
56 , ARG_STRING
57 , ARG_INT
58 } cmdline_parser_arg_type;
59
60 static
61 void clear_given (struct gengetopt_args_info *args_info);
62 static
63 void clear_args (struct gengetopt_args_info *args_info);
64
65 static int
66 cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info,
67 struct cmdline_parser_params *params, const char *additional_error);
68
69 static int
70 cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error);
71
72 static char *
73 gengetopt_strdup (const char *s);
74
75 static
76 void clear_given (struct gengetopt_args_info *args_info)
77 {
78 args_info->help_given = 0 ;
79 args_info->version_given = 0 ;
80 args_info->input_given = 0 ;
81 args_info->output_given = 0 ;
82 args_info->sele1_given = 0 ;
83 args_info->sele2_given = 0 ;
84 args_info->order_given = 0 ;
85 args_info->rcorr_given = 0 ;
86 args_info->vcorr_given = 0 ;
87 args_info->dcorr_given = 0 ;
88 args_info->lcorr_given = 0 ;
89 args_info->r_rcorr_given = 0 ;
90 args_info->thetacorr_given = 0 ;
91 args_info->drcorr_given = 0 ;
92 args_info->helfandEcorr_given = 0 ;
93 args_info->stresscorr_given = 0 ;
94 args_info->dynamicProps_group_counter = 0 ;
95 }
96
97 static
98 void clear_args (struct gengetopt_args_info *args_info)
99 {
100 FIX_UNUSED (args_info);
101 args_info->input_arg = NULL;
102 args_info->input_orig = NULL;
103 args_info->output_arg = NULL;
104 args_info->output_orig = NULL;
105 args_info->sele1_arg = NULL;
106 args_info->sele1_orig = NULL;
107 args_info->sele2_arg = NULL;
108 args_info->sele2_orig = NULL;
109 args_info->order_orig = NULL;
110
111 }
112
113 static
114 void init_args_info(struct gengetopt_args_info *args_info)
115 {
116
117
118 args_info->help_help = gengetopt_args_info_help[0] ;
119 args_info->version_help = gengetopt_args_info_help[1] ;
120 args_info->input_help = gengetopt_args_info_help[2] ;
121 args_info->output_help = gengetopt_args_info_help[3] ;
122 args_info->sele1_help = gengetopt_args_info_help[4] ;
123 args_info->sele2_help = gengetopt_args_info_help[5] ;
124 args_info->order_help = gengetopt_args_info_help[6] ;
125 args_info->rcorr_help = gengetopt_args_info_help[8] ;
126 args_info->vcorr_help = gengetopt_args_info_help[9] ;
127 args_info->dcorr_help = gengetopt_args_info_help[10] ;
128 args_info->lcorr_help = gengetopt_args_info_help[11] ;
129 args_info->r_rcorr_help = gengetopt_args_info_help[12] ;
130 args_info->thetacorr_help = gengetopt_args_info_help[13] ;
131 args_info->drcorr_help = gengetopt_args_info_help[14] ;
132 args_info->helfandEcorr_help = gengetopt_args_info_help[15] ;
133 args_info->stresscorr_help = gengetopt_args_info_help[16] ;
134
135 }
136
137 void
138 cmdline_parser_print_version (void)
139 {
140 printf ("%s %s\n",
141 (strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
142 CMDLINE_PARSER_VERSION);
143 }
144
145 static void print_help_common(void) {
146 cmdline_parser_print_version ();
147
148 if (strlen(gengetopt_args_info_purpose) > 0)
149 printf("\n%s\n", gengetopt_args_info_purpose);
150
151 if (strlen(gengetopt_args_info_usage) > 0)
152 printf("\n%s\n", gengetopt_args_info_usage);
153
154 printf("\n");
155
156 if (strlen(gengetopt_args_info_description) > 0)
157 printf("%s\n\n", gengetopt_args_info_description);
158 }
159
160 void
161 cmdline_parser_print_help (void)
162 {
163 int i = 0;
164 print_help_common();
165 while (gengetopt_args_info_help[i])
166 printf("%s\n", gengetopt_args_info_help[i++]);
167 }
168
169 void
170 cmdline_parser_init (struct gengetopt_args_info *args_info)
171 {
172 clear_given (args_info);
173 clear_args (args_info);
174 init_args_info (args_info);
175 }
176
177 void
178 cmdline_parser_params_init(struct cmdline_parser_params *params)
179 {
180 if (params)
181 {
182 params->override = 0;
183 params->initialize = 1;
184 params->check_required = 1;
185 params->check_ambiguity = 0;
186 params->print_errors = 1;
187 }
188 }
189
190 struct cmdline_parser_params *
191 cmdline_parser_params_create(void)
192 {
193 struct cmdline_parser_params *params =
194 (struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params));
195 cmdline_parser_params_init(params);
196 return params;
197 }
198
199 static void
200 free_string_field (char **s)
201 {
202 if (*s)
203 {
204 free (*s);
205 *s = 0;
206 }
207 }
208
209
210 static void
211 cmdline_parser_release (struct gengetopt_args_info *args_info)
212 {
213
214 free_string_field (&(args_info->input_arg));
215 free_string_field (&(args_info->input_orig));
216 free_string_field (&(args_info->output_arg));
217 free_string_field (&(args_info->output_orig));
218 free_string_field (&(args_info->sele1_arg));
219 free_string_field (&(args_info->sele1_orig));
220 free_string_field (&(args_info->sele2_arg));
221 free_string_field (&(args_info->sele2_orig));
222 free_string_field (&(args_info->order_orig));
223
224
225
226 clear_given (args_info);
227 }
228
229
230 static void
231 write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[])
232 {
233 FIX_UNUSED (values);
234 if (arg) {
235 fprintf(outfile, "%s=\"%s\"\n", opt, arg);
236 } else {
237 fprintf(outfile, "%s\n", opt);
238 }
239 }
240
241
242 int
243 cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info)
244 {
245 int i = 0;
246
247 if (!outfile)
248 {
249 fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE);
250 return EXIT_FAILURE;
251 }
252
253 if (args_info->help_given)
254 write_into_file(outfile, "help", 0, 0 );
255 if (args_info->version_given)
256 write_into_file(outfile, "version", 0, 0 );
257 if (args_info->input_given)
258 write_into_file(outfile, "input", args_info->input_orig, 0);
259 if (args_info->output_given)
260 write_into_file(outfile, "output", args_info->output_orig, 0);
261 if (args_info->sele1_given)
262 write_into_file(outfile, "sele1", args_info->sele1_orig, 0);
263 if (args_info->sele2_given)
264 write_into_file(outfile, "sele2", args_info->sele2_orig, 0);
265 if (args_info->order_given)
266 write_into_file(outfile, "order", args_info->order_orig, 0);
267 if (args_info->rcorr_given)
268 write_into_file(outfile, "rcorr", 0, 0 );
269 if (args_info->vcorr_given)
270 write_into_file(outfile, "vcorr", 0, 0 );
271 if (args_info->dcorr_given)
272 write_into_file(outfile, "dcorr", 0, 0 );
273 if (args_info->lcorr_given)
274 write_into_file(outfile, "lcorr", 0, 0 );
275 if (args_info->r_rcorr_given)
276 write_into_file(outfile, "r_rcorr", 0, 0 );
277 if (args_info->thetacorr_given)
278 write_into_file(outfile, "thetacorr", 0, 0 );
279 if (args_info->drcorr_given)
280 write_into_file(outfile, "drcorr", 0, 0 );
281 if (args_info->helfandEcorr_given)
282 write_into_file(outfile, "helfandEcorr", 0, 0 );
283 if (args_info->stresscorr_given)
284 write_into_file(outfile, "stresscorr", 0, 0 );
285
286
287 i = EXIT_SUCCESS;
288 return i;
289 }
290
291 int
292 cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info)
293 {
294 FILE *outfile;
295 int i = 0;
296
297 outfile = fopen(filename, "w");
298
299 if (!outfile)
300 {
301 fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename);
302 return EXIT_FAILURE;
303 }
304
305 i = cmdline_parser_dump(outfile, args_info);
306 fclose (outfile);
307
308 return i;
309 }
310
311 void
312 cmdline_parser_free (struct gengetopt_args_info *args_info)
313 {
314 cmdline_parser_release (args_info);
315 }
316
317 /** @brief replacement of strdup, which is not standard */
318 char *
319 gengetopt_strdup (const char *s)
320 {
321 char *result = 0;
322 if (!s)
323 return result;
324
325 result = (char*)malloc(strlen(s) + 1);
326 if (result == (char*)0)
327 return (char*)0;
328 strcpy(result, s);
329 return result;
330 }
331
332 static void
333 reset_group_dynamicProps(struct gengetopt_args_info *args_info)
334 {
335 if (! args_info->dynamicProps_group_counter)
336 return;
337
338 args_info->rcorr_given = 0 ;
339 args_info->vcorr_given = 0 ;
340 args_info->dcorr_given = 0 ;
341 args_info->lcorr_given = 0 ;
342 args_info->r_rcorr_given = 0 ;
343 args_info->thetacorr_given = 0 ;
344 args_info->drcorr_given = 0 ;
345 args_info->helfandEcorr_given = 0 ;
346 args_info->stresscorr_given = 0 ;
347
348 args_info->dynamicProps_group_counter = 0;
349 }
350
351 int
352 cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info)
353 {
354 return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
355 }
356
357 int
358 cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info,
359 struct cmdline_parser_params *params)
360 {
361 int result;
362 result = cmdline_parser_internal (argc, argv, args_info, params, 0);
363
364 if (result == EXIT_FAILURE)
365 {
366 cmdline_parser_free (args_info);
367 exit (EXIT_FAILURE);
368 }
369
370 return result;
371 }
372
373 int
374 cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
375 {
376 int result;
377 struct cmdline_parser_params params;
378
379 params.override = override;
380 params.initialize = initialize;
381 params.check_required = check_required;
382 params.check_ambiguity = 0;
383 params.print_errors = 1;
384
385 result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
386
387 if (result == EXIT_FAILURE)
388 {
389 cmdline_parser_free (args_info);
390 exit (EXIT_FAILURE);
391 }
392
393 return result;
394 }
395
396 int
397 cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name)
398 {
399 int result = EXIT_SUCCESS;
400
401 if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
402 result = EXIT_FAILURE;
403
404 if (result == EXIT_FAILURE)
405 {
406 cmdline_parser_free (args_info);
407 exit (EXIT_FAILURE);
408 }
409
410 return result;
411 }
412
413 int
414 cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
415 {
416 int error = 0;
417 FIX_UNUSED (additional_error);
418
419 /* checks for required options */
420 if (! args_info->input_given)
421 {
422 fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : ""));
423 error = 1;
424 }
425
426 if (args_info->dynamicProps_group_counter == 0)
427 {
428 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 : ""));
429 error = 1;
430 }
431
432
433 /* checks for dependences among options */
434
435 return error;
436 }
437
438
439 static char *package_name = 0;
440
441 /**
442 * @brief updates an option
443 * @param field the generic pointer to the field to update
444 * @param orig_field the pointer to the orig field
445 * @param field_given the pointer to the number of occurrence of this option
446 * @param prev_given the pointer to the number of occurrence already seen
447 * @param value the argument for this option (if null no arg was specified)
448 * @param possible_values the possible values for this option (if specified)
449 * @param default_value the default value (in case the option only accepts fixed values)
450 * @param arg_type the type of this option
451 * @param check_ambiguity @see cmdline_parser_params.check_ambiguity
452 * @param override @see cmdline_parser_params.override
453 * @param no_free whether to free a possible previous value
454 * @param multiple_option whether this is a multiple option
455 * @param long_opt the corresponding long option
456 * @param short_opt the corresponding short option (or '-' if none)
457 * @param additional_error possible further error specification
458 */
459 static
460 int update_arg(void *field, char **orig_field,
461 unsigned int *field_given, unsigned int *prev_given,
462 char *value, const char *possible_values[],
463 const char *default_value,
464 cmdline_parser_arg_type arg_type,
465 int check_ambiguity, int override,
466 int no_free, int multiple_option,
467 const char *long_opt, char short_opt,
468 const char *additional_error)
469 {
470 char *stop_char = 0;
471 const char *val = value;
472 int found;
473 char **string_field;
474 FIX_UNUSED (field);
475
476 stop_char = 0;
477 found = 0;
478
479 if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given)))
480 {
481 if (short_opt != '-')
482 fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n",
483 package_name, long_opt, short_opt,
484 (additional_error ? additional_error : ""));
485 else
486 fprintf (stderr, "%s: `--%s' option given more than once%s\n",
487 package_name, long_opt,
488 (additional_error ? additional_error : ""));
489 return 1; /* failure */
490 }
491
492 FIX_UNUSED (default_value);
493
494 if (field_given && *field_given && ! override)
495 return 0;
496 if (prev_given)
497 (*prev_given)++;
498 if (field_given)
499 (*field_given)++;
500 if (possible_values)
501 val = possible_values[found];
502
503 switch(arg_type) {
504 case ARG_INT:
505 if (val) *((int *)field) = strtol (val, &stop_char, 0);
506 break;
507 case ARG_STRING:
508 if (val) {
509 string_field = (char **)field;
510 if (!no_free && *string_field)
511 free (*string_field); /* free previous string */
512 *string_field = gengetopt_strdup (val);
513 }
514 break;
515 default:
516 break;
517 };
518
519 /* check numeric conversion */
520 switch(arg_type) {
521 case ARG_INT:
522 if (val && !(stop_char && *stop_char == '\0')) {
523 fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val);
524 return 1; /* failure */
525 }
526 break;
527 default:
528 ;
529 };
530
531 /* store the original value */
532 switch(arg_type) {
533 case ARG_NO:
534 break;
535 default:
536 if (value && orig_field) {
537 if (no_free) {
538 *orig_field = value;
539 } else {
540 if (*orig_field)
541 free (*orig_field); /* free previous string */
542 *orig_field = gengetopt_strdup (value);
543 }
544 }
545 };
546
547 return 0; /* OK */
548 }
549
550
551 int
552 cmdline_parser_internal (
553 int argc, char **argv, struct gengetopt_args_info *args_info,
554 struct cmdline_parser_params *params, const char *additional_error)
555 {
556 int c; /* Character of the parsed option. */
557
558 int error = 0;
559 struct gengetopt_args_info local_args_info;
560
561 int override;
562 int initialize;
563 int check_required;
564 int check_ambiguity;
565
566 package_name = argv[0];
567
568 override = params->override;
569 initialize = params->initialize;
570 check_required = params->check_required;
571 check_ambiguity = params->check_ambiguity;
572
573 if (initialize)
574 cmdline_parser_init (args_info);
575
576 cmdline_parser_init (&local_args_info);
577
578 optarg = 0;
579 optind = 0;
580 opterr = params->print_errors;
581 optopt = '?';
582
583 while (1)
584 {
585 int option_index = 0;
586
587 static struct option long_options[] = {
588 { "help", 0, NULL, 'h' },
589 { "version", 0, NULL, 'V' },
590 { "input", 1, NULL, 'i' },
591 { "output", 1, NULL, 'o' },
592 { "sele1", 1, NULL, 0 },
593 { "sele2", 1, NULL, 0 },
594 { "order", 1, NULL, 0 },
595 { "rcorr", 0, NULL, 'r' },
596 { "vcorr", 0, NULL, 'v' },
597 { "dcorr", 0, NULL, 'd' },
598 { "lcorr", 0, NULL, 'l' },
599 { "r_rcorr", 0, NULL, 0 },
600 { "thetacorr", 0, NULL, 0 },
601 { "drcorr", 0, NULL, 0 },
602 { "helfandEcorr", 0, NULL, 0 },
603 { "stresscorr", 0, NULL, 0 },
604 { 0, 0, 0, 0 }
605 };
606
607 c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index);
608
609 if (c == -1) break; /* Exit from `while (1)' loop. */
610
611 switch (c)
612 {
613 case 'h': /* Print help and exit. */
614 cmdline_parser_print_help ();
615 cmdline_parser_free (&local_args_info);
616 exit (EXIT_SUCCESS);
617
618 case 'V': /* Print version and exit. */
619 cmdline_parser_print_version ();
620 cmdline_parser_free (&local_args_info);
621 exit (EXIT_SUCCESS);
622
623 case 'i': /* input dump file. */
624
625
626 if (update_arg( (void *)&(args_info->input_arg),
627 &(args_info->input_orig), &(args_info->input_given),
628 &(local_args_info.input_given), optarg, 0, 0, ARG_STRING,
629 check_ambiguity, override, 0, 0,
630 "input", 'i',
631 additional_error))
632 goto failure;
633
634 break;
635 case 'o': /* output file name. */
636
637
638 if (update_arg( (void *)&(args_info->output_arg),
639 &(args_info->output_orig), &(args_info->output_given),
640 &(local_args_info.output_given), optarg, 0, 0, ARG_STRING,
641 check_ambiguity, override, 0, 0,
642 "output", 'o',
643 additional_error))
644 goto failure;
645
646 break;
647 case 'r': /* rmsd. */
648
649 if (args_info->dynamicProps_group_counter && override)
650 reset_group_dynamicProps (args_info);
651 args_info->dynamicProps_group_counter += 1;
652
653 if (update_arg( 0 ,
654 0 , &(args_info->rcorr_given),
655 &(local_args_info.rcorr_given), optarg, 0, 0, ARG_NO,
656 check_ambiguity, override, 0, 0,
657 "rcorr", 'r',
658 additional_error))
659 goto failure;
660
661 break;
662 case 'v': /* velocity correlation function. */
663
664 if (args_info->dynamicProps_group_counter && override)
665 reset_group_dynamicProps (args_info);
666 args_info->dynamicProps_group_counter += 1;
667
668 if (update_arg( 0 ,
669 0 , &(args_info->vcorr_given),
670 &(local_args_info.vcorr_given), optarg, 0, 0, ARG_NO,
671 check_ambiguity, override, 0, 0,
672 "vcorr", 'v',
673 additional_error))
674 goto failure;
675
676 break;
677 case 'd': /* dipole correlation function. */
678
679 if (args_info->dynamicProps_group_counter && override)
680 reset_group_dynamicProps (args_info);
681 args_info->dynamicProps_group_counter += 1;
682
683 if (update_arg( 0 ,
684 0 , &(args_info->dcorr_given),
685 &(local_args_info.dcorr_given), optarg, 0, 0, ARG_NO,
686 check_ambiguity, override, 0, 0,
687 "dcorr", 'd',
688 additional_error))
689 goto failure;
690
691 break;
692 case 'l': /* Lengendre correlation function. */
693
694 if (args_info->dynamicProps_group_counter && override)
695 reset_group_dynamicProps (args_info);
696 args_info->dynamicProps_group_counter += 1;
697
698 if (update_arg( 0 ,
699 0 , &(args_info->lcorr_given),
700 &(local_args_info.lcorr_given), optarg, 0, 0, ARG_NO,
701 check_ambiguity, override, 0, 0,
702 "lcorr", 'l',
703 additional_error))
704 goto failure;
705
706 break;
707
708 case 0: /* Long option with no short option */
709 /* select first stuntdouble set. */
710 if (strcmp (long_options[option_index].name, "sele1") == 0)
711 {
712
713
714 if (update_arg( (void *)&(args_info->sele1_arg),
715 &(args_info->sele1_orig), &(args_info->sele1_given),
716 &(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING,
717 check_ambiguity, override, 0, 0,
718 "sele1", '-',
719 additional_error))
720 goto failure;
721
722 }
723 /* select second stuntdouble set (if sele2 is not set, use script from sele1). */
724 else if (strcmp (long_options[option_index].name, "sele2") == 0)
725 {
726
727
728 if (update_arg( (void *)&(args_info->sele2_arg),
729 &(args_info->sele2_orig), &(args_info->sele2_given),
730 &(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING,
731 check_ambiguity, override, 0, 0,
732 "sele2", '-',
733 additional_error))
734 goto failure;
735
736 }
737 /* Lengendre Polynomial Order. */
738 else if (strcmp (long_options[option_index].name, "order") == 0)
739 {
740
741
742 if (update_arg( (void *)&(args_info->order_arg),
743 &(args_info->order_orig), &(args_info->order_given),
744 &(local_args_info.order_given), optarg, 0, 0, ARG_INT,
745 check_ambiguity, override, 0, 0,
746 "order", '-',
747 additional_error))
748 goto failure;
749
750 }
751 /* Radial rmsd. */
752 else if (strcmp (long_options[option_index].name, "r_rcorr") == 0)
753 {
754
755 if (args_info->dynamicProps_group_counter && override)
756 reset_group_dynamicProps (args_info);
757 args_info->dynamicProps_group_counter += 1;
758
759 if (update_arg( 0 ,
760 0 , &(args_info->r_rcorr_given),
761 &(local_args_info.r_rcorr_given), optarg, 0, 0, ARG_NO,
762 check_ambiguity, override, 0, 0,
763 "r_rcorr", '-',
764 additional_error))
765 goto failure;
766
767 }
768 /* Angular rmsd. */
769 else if (strcmp (long_options[option_index].name, "thetacorr") == 0)
770 {
771
772 if (args_info->dynamicProps_group_counter && override)
773 reset_group_dynamicProps (args_info);
774 args_info->dynamicProps_group_counter += 1;
775
776 if (update_arg( 0 ,
777 0 , &(args_info->thetacorr_given),
778 &(local_args_info.thetacorr_given), optarg, 0, 0, ARG_NO,
779 check_ambiguity, override, 0, 0,
780 "thetacorr", '-',
781 additional_error))
782 goto failure;
783
784 }
785 /* Directional rmsd for particles with unit vectors. */
786 else if (strcmp (long_options[option_index].name, "drcorr") == 0)
787 {
788
789 if (args_info->dynamicProps_group_counter && override)
790 reset_group_dynamicProps (args_info);
791 args_info->dynamicProps_group_counter += 1;
792
793 if (update_arg( 0 ,
794 0 , &(args_info->drcorr_given),
795 &(local_args_info.drcorr_given), optarg, 0, 0, ARG_NO,
796 check_ambiguity, override, 0, 0,
797 "drcorr", '-',
798 additional_error))
799 goto failure;
800
801 }
802 /* Helfand moment for thermal conductvity. */
803 else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0)
804 {
805
806 if (args_info->dynamicProps_group_counter && override)
807 reset_group_dynamicProps (args_info);
808 args_info->dynamicProps_group_counter += 1;
809
810 if (update_arg( 0 ,
811 0 , &(args_info->helfandEcorr_given),
812 &(local_args_info.helfandEcorr_given), optarg, 0, 0, ARG_NO,
813 check_ambiguity, override, 0, 0,
814 "helfandEcorr", '-',
815 additional_error))
816 goto failure;
817
818 }
819 /* Stress tensor correlation function. */
820 else if (strcmp (long_options[option_index].name, "stresscorr") == 0)
821 {
822
823 if (args_info->dynamicProps_group_counter && override)
824 reset_group_dynamicProps (args_info);
825 args_info->dynamicProps_group_counter += 1;
826
827 if (update_arg( 0 ,
828 0 , &(args_info->stresscorr_given),
829 &(local_args_info.stresscorr_given), optarg, 0, 0, ARG_NO,
830 check_ambiguity, override, 0, 0,
831 "stresscorr", '-',
832 additional_error))
833 goto failure;
834
835 }
836
837 break;
838 case '?': /* Invalid option. */
839 /* `getopt_long' already printed an error message. */
840 goto failure;
841
842 default: /* bug: option not considered. */
843 fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : ""));
844 abort ();
845 } /* switch */
846 } /* while */
847
848 if (args_info->dynamicProps_group_counter > 1)
849 {
850 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 : ""));
851 error = 1;
852 }
853
854
855
856 if (check_required)
857 {
858 error += cmdline_parser_required2 (args_info, argv[0], additional_error);
859 }
860
861 cmdline_parser_release (&local_args_info);
862
863 if ( error )
864 return (EXIT_FAILURE);
865
866 return 0;
867
868 failure:
869
870 cmdline_parser_release (&local_args_info);
871 return (EXIT_FAILURE);
872 }

Properties

Name Value
svn:keywords Author Id Revision Date