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root/OpenMD/trunk/src/applications/dynamicProps/DynamicPropsCmd.cpp
Revision: 1655
Committed: Mon Oct 3 20:32:45 2011 UTC (13 years, 6 months ago) by gezelter
Original Path: branches/development/src/applications/dynamicProps/DynamicPropsCmd.cpp
File size: 29985 byte(s)
Log Message:
Replacing most of the C-code with C++ code, and migrating the config.h
file into the PROJECT_BINARY_DIR so that we can have multiple builds
on the same architecture.

File Contents

# Content
1 /*
2 File autogenerated by gengetopt version 2.22.4
3 generated with the following command:
4 gengetopt -F DynamicPropsCmd -u
5
6 The developers of gengetopt consider the fixed text that goes in all
7 gengetopt output files to be in the public domain:
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]... [FILES]...";
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 " -m, --memory=memory specification\n Available memory (defaults to 2G) \n (default=`2G')",
43 "\n Group: dynamicProps\n an option of this group is required",
44 " -r, --rcorr rmsd",
45 " -v, --vcorr velocity correlation function",
46 " -d, --dcorr dipole correlation function",
47 " -l, --lcorr Lengendre correlation function",
48 " -s, --sdcorr System dipole correlation function",
49 " --r_rcorr Radial rmsd",
50 " --thetacorr Angular rmsd",
51 " --drcorr Directional rmsd for particles with unit \n vectors",
52 " --helfandEcorr Helfand moment for thermal conductvity",
53 " -p, --momentum Helfand momentum for viscosity",
54 " --stresscorr Stress tensor correlation function",
55 0
56 };
57
58 typedef enum {ARG_NO
59 , ARG_STRING
60 , ARG_INT
61 } cmdline_parser_arg_type;
62
63 static
64 void clear_given (struct gengetopt_args_info *args_info);
65 static
66 void clear_args (struct gengetopt_args_info *args_info);
67
68 static int
69 cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info,
70 struct cmdline_parser_params *params, const char *additional_error);
71
72 static int
73 cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error);
74
75 static char *
76 gengetopt_strdup (const char *s);
77
78 static
79 void clear_given (struct gengetopt_args_info *args_info)
80 {
81 args_info->help_given = 0 ;
82 args_info->version_given = 0 ;
83 args_info->input_given = 0 ;
84 args_info->output_given = 0 ;
85 args_info->sele1_given = 0 ;
86 args_info->sele2_given = 0 ;
87 args_info->order_given = 0 ;
88 args_info->memory_given = 0 ;
89 args_info->rcorr_given = 0 ;
90 args_info->vcorr_given = 0 ;
91 args_info->dcorr_given = 0 ;
92 args_info->lcorr_given = 0 ;
93 args_info->sdcorr_given = 0 ;
94 args_info->r_rcorr_given = 0 ;
95 args_info->thetacorr_given = 0 ;
96 args_info->drcorr_given = 0 ;
97 args_info->helfandEcorr_given = 0 ;
98 args_info->momentum_given = 0 ;
99 args_info->stresscorr_given = 0 ;
100 args_info->dynamicProps_group_counter = 0 ;
101 }
102
103 static
104 void clear_args (struct gengetopt_args_info *args_info)
105 {
106 FIX_UNUSED (args_info);
107 args_info->input_arg = NULL;
108 args_info->input_orig = NULL;
109 args_info->output_arg = NULL;
110 args_info->output_orig = NULL;
111 args_info->sele1_arg = NULL;
112 args_info->sele1_orig = NULL;
113 args_info->sele2_arg = NULL;
114 args_info->sele2_orig = NULL;
115 args_info->order_orig = NULL;
116 args_info->memory_arg = gengetopt_strdup ("2G");
117 args_info->memory_orig = NULL;
118
119 }
120
121 static
122 void init_args_info(struct gengetopt_args_info *args_info)
123 {
124
125
126 args_info->help_help = gengetopt_args_info_help[0] ;
127 args_info->version_help = gengetopt_args_info_help[1] ;
128 args_info->input_help = gengetopt_args_info_help[2] ;
129 args_info->output_help = gengetopt_args_info_help[3] ;
130 args_info->sele1_help = gengetopt_args_info_help[4] ;
131 args_info->sele2_help = gengetopt_args_info_help[5] ;
132 args_info->order_help = gengetopt_args_info_help[6] ;
133 args_info->memory_help = gengetopt_args_info_help[7] ;
134 args_info->rcorr_help = gengetopt_args_info_help[9] ;
135 args_info->vcorr_help = gengetopt_args_info_help[10] ;
136 args_info->dcorr_help = gengetopt_args_info_help[11] ;
137 args_info->lcorr_help = gengetopt_args_info_help[12] ;
138 args_info->sdcorr_help = gengetopt_args_info_help[13] ;
139 args_info->r_rcorr_help = gengetopt_args_info_help[14] ;
140 args_info->thetacorr_help = gengetopt_args_info_help[15] ;
141 args_info->drcorr_help = gengetopt_args_info_help[16] ;
142 args_info->helfandEcorr_help = gengetopt_args_info_help[17] ;
143 args_info->momentum_help = gengetopt_args_info_help[18] ;
144 args_info->stresscorr_help = gengetopt_args_info_help[19] ;
145
146 }
147
148 void
149 cmdline_parser_print_version (void)
150 {
151 printf ("%s %s\n",
152 (strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
153 CMDLINE_PARSER_VERSION);
154 }
155
156 static void print_help_common(void) {
157 cmdline_parser_print_version ();
158
159 if (strlen(gengetopt_args_info_purpose) > 0)
160 printf("\n%s\n", gengetopt_args_info_purpose);
161
162 if (strlen(gengetopt_args_info_usage) > 0)
163 printf("\n%s\n", gengetopt_args_info_usage);
164
165 printf("\n");
166
167 if (strlen(gengetopt_args_info_description) > 0)
168 printf("%s\n\n", gengetopt_args_info_description);
169 }
170
171 void
172 cmdline_parser_print_help (void)
173 {
174 int i = 0;
175 print_help_common();
176 while (gengetopt_args_info_help[i])
177 printf("%s\n", gengetopt_args_info_help[i++]);
178 }
179
180 void
181 cmdline_parser_init (struct gengetopt_args_info *args_info)
182 {
183 clear_given (args_info);
184 clear_args (args_info);
185 init_args_info (args_info);
186
187 args_info->inputs = 0;
188 args_info->inputs_num = 0;
189 }
190
191 void
192 cmdline_parser_params_init(struct cmdline_parser_params *params)
193 {
194 if (params)
195 {
196 params->override = 0;
197 params->initialize = 1;
198 params->check_required = 1;
199 params->check_ambiguity = 0;
200 params->print_errors = 1;
201 }
202 }
203
204 struct cmdline_parser_params *
205 cmdline_parser_params_create(void)
206 {
207 struct cmdline_parser_params *params =
208 (struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params));
209 cmdline_parser_params_init(params);
210 return params;
211 }
212
213 static void
214 free_string_field (char **s)
215 {
216 if (*s)
217 {
218 free (*s);
219 *s = 0;
220 }
221 }
222
223
224 static void
225 cmdline_parser_release (struct gengetopt_args_info *args_info)
226 {
227 unsigned int i;
228 free_string_field (&(args_info->input_arg));
229 free_string_field (&(args_info->input_orig));
230 free_string_field (&(args_info->output_arg));
231 free_string_field (&(args_info->output_orig));
232 free_string_field (&(args_info->sele1_arg));
233 free_string_field (&(args_info->sele1_orig));
234 free_string_field (&(args_info->sele2_arg));
235 free_string_field (&(args_info->sele2_orig));
236 free_string_field (&(args_info->order_orig));
237 free_string_field (&(args_info->memory_arg));
238 free_string_field (&(args_info->memory_orig));
239
240
241 for (i = 0; i < args_info->inputs_num; ++i)
242 free (args_info->inputs [i]);
243
244 if (args_info->inputs_num)
245 free (args_info->inputs);
246
247 clear_given (args_info);
248 }
249
250
251 static void
252 write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[])
253 {
254 FIX_UNUSED (values);
255 if (arg) {
256 fprintf(outfile, "%s=\"%s\"\n", opt, arg);
257 } else {
258 fprintf(outfile, "%s\n", opt);
259 }
260 }
261
262
263 int
264 cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info)
265 {
266 int i = 0;
267
268 if (!outfile)
269 {
270 fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE);
271 return EXIT_FAILURE;
272 }
273
274 if (args_info->help_given)
275 write_into_file(outfile, "help", 0, 0 );
276 if (args_info->version_given)
277 write_into_file(outfile, "version", 0, 0 );
278 if (args_info->input_given)
279 write_into_file(outfile, "input", args_info->input_orig, 0);
280 if (args_info->output_given)
281 write_into_file(outfile, "output", args_info->output_orig, 0);
282 if (args_info->sele1_given)
283 write_into_file(outfile, "sele1", args_info->sele1_orig, 0);
284 if (args_info->sele2_given)
285 write_into_file(outfile, "sele2", args_info->sele2_orig, 0);
286 if (args_info->order_given)
287 write_into_file(outfile, "order", args_info->order_orig, 0);
288 if (args_info->memory_given)
289 write_into_file(outfile, "memory", args_info->memory_orig, 0);
290 if (args_info->rcorr_given)
291 write_into_file(outfile, "rcorr", 0, 0 );
292 if (args_info->vcorr_given)
293 write_into_file(outfile, "vcorr", 0, 0 );
294 if (args_info->dcorr_given)
295 write_into_file(outfile, "dcorr", 0, 0 );
296 if (args_info->lcorr_given)
297 write_into_file(outfile, "lcorr", 0, 0 );
298 if (args_info->sdcorr_given)
299 write_into_file(outfile, "sdcorr", 0, 0 );
300 if (args_info->r_rcorr_given)
301 write_into_file(outfile, "r_rcorr", 0, 0 );
302 if (args_info->thetacorr_given)
303 write_into_file(outfile, "thetacorr", 0, 0 );
304 if (args_info->drcorr_given)
305 write_into_file(outfile, "drcorr", 0, 0 );
306 if (args_info->helfandEcorr_given)
307 write_into_file(outfile, "helfandEcorr", 0, 0 );
308 if (args_info->momentum_given)
309 write_into_file(outfile, "momentum", 0, 0 );
310 if (args_info->stresscorr_given)
311 write_into_file(outfile, "stresscorr", 0, 0 );
312
313
314 i = EXIT_SUCCESS;
315 return i;
316 }
317
318 int
319 cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info)
320 {
321 FILE *outfile;
322 int i = 0;
323
324 outfile = fopen(filename, "w");
325
326 if (!outfile)
327 {
328 fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename);
329 return EXIT_FAILURE;
330 }
331
332 i = cmdline_parser_dump(outfile, args_info);
333 fclose (outfile);
334
335 return i;
336 }
337
338 void
339 cmdline_parser_free (struct gengetopt_args_info *args_info)
340 {
341 cmdline_parser_release (args_info);
342 }
343
344 /** @brief replacement of strdup, which is not standard */
345 char *
346 gengetopt_strdup (const char *s)
347 {
348 char *result = 0;
349 if (!s)
350 return result;
351
352 result = (char*)malloc(strlen(s) + 1);
353 if (result == (char*)0)
354 return (char*)0;
355 strcpy(result, s);
356 return result;
357 }
358
359 static void
360 reset_group_dynamicProps(struct gengetopt_args_info *args_info)
361 {
362 if (! args_info->dynamicProps_group_counter)
363 return;
364
365 args_info->rcorr_given = 0 ;
366 args_info->vcorr_given = 0 ;
367 args_info->dcorr_given = 0 ;
368 args_info->lcorr_given = 0 ;
369 args_info->sdcorr_given = 0 ;
370 args_info->r_rcorr_given = 0 ;
371 args_info->thetacorr_given = 0 ;
372 args_info->drcorr_given = 0 ;
373 args_info->helfandEcorr_given = 0 ;
374 args_info->momentum_given = 0 ;
375 args_info->stresscorr_given = 0 ;
376
377 args_info->dynamicProps_group_counter = 0;
378 }
379
380 int
381 cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info)
382 {
383 return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
384 }
385
386 int
387 cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info,
388 struct cmdline_parser_params *params)
389 {
390 int result;
391 result = cmdline_parser_internal (argc, argv, args_info, params, 0);
392
393 if (result == EXIT_FAILURE)
394 {
395 cmdline_parser_free (args_info);
396 exit (EXIT_FAILURE);
397 }
398
399 return result;
400 }
401
402 int
403 cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
404 {
405 int result;
406 struct cmdline_parser_params params;
407
408 params.override = override;
409 params.initialize = initialize;
410 params.check_required = check_required;
411 params.check_ambiguity = 0;
412 params.print_errors = 1;
413
414 result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
415
416 if (result == EXIT_FAILURE)
417 {
418 cmdline_parser_free (args_info);
419 exit (EXIT_FAILURE);
420 }
421
422 return result;
423 }
424
425 int
426 cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name)
427 {
428 int result = EXIT_SUCCESS;
429
430 if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
431 result = EXIT_FAILURE;
432
433 if (result == EXIT_FAILURE)
434 {
435 cmdline_parser_free (args_info);
436 exit (EXIT_FAILURE);
437 }
438
439 return result;
440 }
441
442 int
443 cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
444 {
445 int error = 0;
446 FIX_UNUSED (additional_error);
447
448 /* checks for required options */
449 if (! args_info->input_given)
450 {
451 fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : ""));
452 error = 1;
453 }
454
455 if (args_info->dynamicProps_group_counter == 0)
456 {
457 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 : ""));
458 error = 1;
459 }
460
461
462 /* checks for dependences among options */
463
464 return error;
465 }
466
467
468 static char *package_name = 0;
469
470 /**
471 * @brief updates an option
472 * @param field the generic pointer to the field to update
473 * @param orig_field the pointer to the orig field
474 * @param field_given the pointer to the number of occurrence of this option
475 * @param prev_given the pointer to the number of occurrence already seen
476 * @param value the argument for this option (if null no arg was specified)
477 * @param possible_values the possible values for this option (if specified)
478 * @param default_value the default value (in case the option only accepts fixed values)
479 * @param arg_type the type of this option
480 * @param check_ambiguity @see cmdline_parser_params.check_ambiguity
481 * @param override @see cmdline_parser_params.override
482 * @param no_free whether to free a possible previous value
483 * @param multiple_option whether this is a multiple option
484 * @param long_opt the corresponding long option
485 * @param short_opt the corresponding short option (or '-' if none)
486 * @param additional_error possible further error specification
487 */
488 static
489 int update_arg(void *field, char **orig_field,
490 unsigned int *field_given, unsigned int *prev_given,
491 char *value, const char *possible_values[],
492 const char *default_value,
493 cmdline_parser_arg_type arg_type,
494 int check_ambiguity, int override,
495 int no_free, int multiple_option,
496 const char *long_opt, char short_opt,
497 const char *additional_error)
498 {
499 char *stop_char = 0;
500 const char *val = value;
501 int found;
502 char **string_field;
503 FIX_UNUSED (field);
504
505 stop_char = 0;
506 found = 0;
507
508 if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given)))
509 {
510 if (short_opt != '-')
511 fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n",
512 package_name, long_opt, short_opt,
513 (additional_error ? additional_error : ""));
514 else
515 fprintf (stderr, "%s: `--%s' option given more than once%s\n",
516 package_name, long_opt,
517 (additional_error ? additional_error : ""));
518 return 1; /* failure */
519 }
520
521 FIX_UNUSED (default_value);
522
523 if (field_given && *field_given && ! override)
524 return 0;
525 if (prev_given)
526 (*prev_given)++;
527 if (field_given)
528 (*field_given)++;
529 if (possible_values)
530 val = possible_values[found];
531
532 switch(arg_type) {
533 case ARG_INT:
534 if (val) *((int *)field) = strtol (val, &stop_char, 0);
535 break;
536 case ARG_STRING:
537 if (val) {
538 string_field = (char **)field;
539 if (!no_free && *string_field)
540 free (*string_field); /* free previous string */
541 *string_field = gengetopt_strdup (val);
542 }
543 break;
544 default:
545 break;
546 };
547
548 /* check numeric conversion */
549 switch(arg_type) {
550 case ARG_INT:
551 if (val && !(stop_char && *stop_char == '\0')) {
552 fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val);
553 return 1; /* failure */
554 }
555 break;
556 default:
557 ;
558 };
559
560 /* store the original value */
561 switch(arg_type) {
562 case ARG_NO:
563 break;
564 default:
565 if (value && orig_field) {
566 if (no_free) {
567 *orig_field = value;
568 } else {
569 if (*orig_field)
570 free (*orig_field); /* free previous string */
571 *orig_field = gengetopt_strdup (value);
572 }
573 }
574 };
575
576 return 0; /* OK */
577 }
578
579
580 int
581 cmdline_parser_internal (
582 int argc, char **argv, struct gengetopt_args_info *args_info,
583 struct cmdline_parser_params *params, const char *additional_error)
584 {
585 int c; /* Character of the parsed option. */
586
587 int error = 0;
588 struct gengetopt_args_info local_args_info;
589
590 int override;
591 int initialize;
592 int check_required;
593 int check_ambiguity;
594
595 package_name = argv[0];
596
597 override = params->override;
598 initialize = params->initialize;
599 check_required = params->check_required;
600 check_ambiguity = params->check_ambiguity;
601
602 if (initialize)
603 cmdline_parser_init (args_info);
604
605 cmdline_parser_init (&local_args_info);
606
607 optarg = 0;
608 optind = 0;
609 opterr = params->print_errors;
610 optopt = '?';
611
612 while (1)
613 {
614 int option_index = 0;
615
616 static struct option long_options[] = {
617 { "help", 0, NULL, 'h' },
618 { "version", 0, NULL, 'V' },
619 { "input", 1, NULL, 'i' },
620 { "output", 1, NULL, 'o' },
621 { "sele1", 1, NULL, 0 },
622 { "sele2", 1, NULL, 0 },
623 { "order", 1, NULL, 0 },
624 { "memory", 1, NULL, 'm' },
625 { "rcorr", 0, NULL, 'r' },
626 { "vcorr", 0, NULL, 'v' },
627 { "dcorr", 0, NULL, 'd' },
628 { "lcorr", 0, NULL, 'l' },
629 { "sdcorr", 0, NULL, 's' },
630 { "r_rcorr", 0, NULL, 0 },
631 { "thetacorr", 0, NULL, 0 },
632 { "drcorr", 0, NULL, 0 },
633 { "helfandEcorr", 0, NULL, 0 },
634 { "momentum", 0, NULL, 'p' },
635 { "stresscorr", 0, NULL, 0 },
636 { 0, 0, 0, 0 }
637 };
638
639 c = getopt_long (argc, argv, "hVi:o:m:rvdlsp", long_options, &option_index);
640
641 if (c == -1) break; /* Exit from `while (1)' loop. */
642
643 switch (c)
644 {
645 case 'h': /* Print help and exit. */
646 cmdline_parser_print_help ();
647 cmdline_parser_free (&local_args_info);
648 exit (EXIT_SUCCESS);
649
650 case 'V': /* Print version and exit. */
651 cmdline_parser_print_version ();
652 cmdline_parser_free (&local_args_info);
653 exit (EXIT_SUCCESS);
654
655 case 'i': /* input dump file. */
656
657
658 if (update_arg( (void *)&(args_info->input_arg),
659 &(args_info->input_orig), &(args_info->input_given),
660 &(local_args_info.input_given), optarg, 0, 0, ARG_STRING,
661 check_ambiguity, override, 0, 0,
662 "input", 'i',
663 additional_error))
664 goto failure;
665
666 break;
667 case 'o': /* output file name. */
668
669
670 if (update_arg( (void *)&(args_info->output_arg),
671 &(args_info->output_orig), &(args_info->output_given),
672 &(local_args_info.output_given), optarg, 0, 0, ARG_STRING,
673 check_ambiguity, override, 0, 0,
674 "output", 'o',
675 additional_error))
676 goto failure;
677
678 break;
679 case 'm': /* Available memory (defaults to 2G). */
680
681
682 if (update_arg( (void *)&(args_info->memory_arg),
683 &(args_info->memory_orig), &(args_info->memory_given),
684 &(local_args_info.memory_given), optarg, 0, "2G", ARG_STRING,
685 check_ambiguity, override, 0, 0,
686 "memory", 'm',
687 additional_error))
688 goto failure;
689
690 break;
691 case 'r': /* rmsd. */
692
693 if (args_info->dynamicProps_group_counter && override)
694 reset_group_dynamicProps (args_info);
695 args_info->dynamicProps_group_counter += 1;
696
697 if (update_arg( 0 ,
698 0 , &(args_info->rcorr_given),
699 &(local_args_info.rcorr_given), optarg, 0, 0, ARG_NO,
700 check_ambiguity, override, 0, 0,
701 "rcorr", 'r',
702 additional_error))
703 goto failure;
704
705 break;
706 case 'v': /* velocity correlation function. */
707
708 if (args_info->dynamicProps_group_counter && override)
709 reset_group_dynamicProps (args_info);
710 args_info->dynamicProps_group_counter += 1;
711
712 if (update_arg( 0 ,
713 0 , &(args_info->vcorr_given),
714 &(local_args_info.vcorr_given), optarg, 0, 0, ARG_NO,
715 check_ambiguity, override, 0, 0,
716 "vcorr", 'v',
717 additional_error))
718 goto failure;
719
720 break;
721 case 'd': /* dipole correlation function. */
722
723 if (args_info->dynamicProps_group_counter && override)
724 reset_group_dynamicProps (args_info);
725 args_info->dynamicProps_group_counter += 1;
726
727 if (update_arg( 0 ,
728 0 , &(args_info->dcorr_given),
729 &(local_args_info.dcorr_given), optarg, 0, 0, ARG_NO,
730 check_ambiguity, override, 0, 0,
731 "dcorr", 'd',
732 additional_error))
733 goto failure;
734
735 break;
736 case 'l': /* Lengendre correlation function. */
737
738 if (args_info->dynamicProps_group_counter && override)
739 reset_group_dynamicProps (args_info);
740 args_info->dynamicProps_group_counter += 1;
741
742 if (update_arg( 0 ,
743 0 , &(args_info->lcorr_given),
744 &(local_args_info.lcorr_given), optarg, 0, 0, ARG_NO,
745 check_ambiguity, override, 0, 0,
746 "lcorr", 'l',
747 additional_error))
748 goto failure;
749
750 break;
751 case 's': /* System dipole correlation function. */
752
753 if (args_info->dynamicProps_group_counter && override)
754 reset_group_dynamicProps (args_info);
755 args_info->dynamicProps_group_counter += 1;
756
757 if (update_arg( 0 ,
758 0 , &(args_info->sdcorr_given),
759 &(local_args_info.sdcorr_given), optarg, 0, 0, ARG_NO,
760 check_ambiguity, override, 0, 0,
761 "sdcorr", 's',
762 additional_error))
763 goto failure;
764
765 break;
766 case 'p': /* Helfand momentum for viscosity. */
767
768 if (args_info->dynamicProps_group_counter && override)
769 reset_group_dynamicProps (args_info);
770 args_info->dynamicProps_group_counter += 1;
771
772 if (update_arg( 0 ,
773 0 , &(args_info->momentum_given),
774 &(local_args_info.momentum_given), optarg, 0, 0, ARG_NO,
775 check_ambiguity, override, 0, 0,
776 "momentum", 'p',
777 additional_error))
778 goto failure;
779
780 break;
781
782 case 0: /* Long option with no short option */
783 /* select first stuntdouble set. */
784 if (strcmp (long_options[option_index].name, "sele1") == 0)
785 {
786
787
788 if (update_arg( (void *)&(args_info->sele1_arg),
789 &(args_info->sele1_orig), &(args_info->sele1_given),
790 &(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING,
791 check_ambiguity, override, 0, 0,
792 "sele1", '-',
793 additional_error))
794 goto failure;
795
796 }
797 /* select second stuntdouble set (if sele2 is not set, use script from sele1). */
798 else if (strcmp (long_options[option_index].name, "sele2") == 0)
799 {
800
801
802 if (update_arg( (void *)&(args_info->sele2_arg),
803 &(args_info->sele2_orig), &(args_info->sele2_given),
804 &(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING,
805 check_ambiguity, override, 0, 0,
806 "sele2", '-',
807 additional_error))
808 goto failure;
809
810 }
811 /* Lengendre Polynomial Order. */
812 else if (strcmp (long_options[option_index].name, "order") == 0)
813 {
814
815
816 if (update_arg( (void *)&(args_info->order_arg),
817 &(args_info->order_orig), &(args_info->order_given),
818 &(local_args_info.order_given), optarg, 0, 0, ARG_INT,
819 check_ambiguity, override, 0, 0,
820 "order", '-',
821 additional_error))
822 goto failure;
823
824 }
825 /* Radial rmsd. */
826 else if (strcmp (long_options[option_index].name, "r_rcorr") == 0)
827 {
828
829 if (args_info->dynamicProps_group_counter && override)
830 reset_group_dynamicProps (args_info);
831 args_info->dynamicProps_group_counter += 1;
832
833 if (update_arg( 0 ,
834 0 , &(args_info->r_rcorr_given),
835 &(local_args_info.r_rcorr_given), optarg, 0, 0, ARG_NO,
836 check_ambiguity, override, 0, 0,
837 "r_rcorr", '-',
838 additional_error))
839 goto failure;
840
841 }
842 /* Angular rmsd. */
843 else if (strcmp (long_options[option_index].name, "thetacorr") == 0)
844 {
845
846 if (args_info->dynamicProps_group_counter && override)
847 reset_group_dynamicProps (args_info);
848 args_info->dynamicProps_group_counter += 1;
849
850 if (update_arg( 0 ,
851 0 , &(args_info->thetacorr_given),
852 &(local_args_info.thetacorr_given), optarg, 0, 0, ARG_NO,
853 check_ambiguity, override, 0, 0,
854 "thetacorr", '-',
855 additional_error))
856 goto failure;
857
858 }
859 /* Directional rmsd for particles with unit vectors. */
860 else if (strcmp (long_options[option_index].name, "drcorr") == 0)
861 {
862
863 if (args_info->dynamicProps_group_counter && override)
864 reset_group_dynamicProps (args_info);
865 args_info->dynamicProps_group_counter += 1;
866
867 if (update_arg( 0 ,
868 0 , &(args_info->drcorr_given),
869 &(local_args_info.drcorr_given), optarg, 0, 0, ARG_NO,
870 check_ambiguity, override, 0, 0,
871 "drcorr", '-',
872 additional_error))
873 goto failure;
874
875 }
876 /* Helfand moment for thermal conductvity. */
877 else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0)
878 {
879
880 if (args_info->dynamicProps_group_counter && override)
881 reset_group_dynamicProps (args_info);
882 args_info->dynamicProps_group_counter += 1;
883
884 if (update_arg( 0 ,
885 0 , &(args_info->helfandEcorr_given),
886 &(local_args_info.helfandEcorr_given), optarg, 0, 0, ARG_NO,
887 check_ambiguity, override, 0, 0,
888 "helfandEcorr", '-',
889 additional_error))
890 goto failure;
891
892 }
893 /* Stress tensor correlation function. */
894 else if (strcmp (long_options[option_index].name, "stresscorr") == 0)
895 {
896
897 if (args_info->dynamicProps_group_counter && override)
898 reset_group_dynamicProps (args_info);
899 args_info->dynamicProps_group_counter += 1;
900
901 if (update_arg( 0 ,
902 0 , &(args_info->stresscorr_given),
903 &(local_args_info.stresscorr_given), optarg, 0, 0, ARG_NO,
904 check_ambiguity, override, 0, 0,
905 "stresscorr", '-',
906 additional_error))
907 goto failure;
908
909 }
910
911 break;
912 case '?': /* Invalid option. */
913 /* `getopt_long' already printed an error message. */
914 goto failure;
915
916 default: /* bug: option not considered. */
917 fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : ""));
918 abort ();
919 } /* switch */
920 } /* while */
921
922 if (args_info->dynamicProps_group_counter > 1)
923 {
924 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 : ""));
925 error = 1;
926 }
927
928
929
930 if (check_required)
931 {
932 error += cmdline_parser_required2 (args_info, argv[0], additional_error);
933 }
934
935 cmdline_parser_release (&local_args_info);
936
937 if ( error )
938 return (EXIT_FAILURE);
939
940 if (optind < argc)
941 {
942 int i = 0 ;
943 int found_prog_name = 0;
944 /* whether program name, i.e., argv[0], is in the remaining args
945 (this may happen with some implementations of getopt,
946 but surely not with the one included by gengetopt) */
947
948 i = optind;
949 while (i < argc)
950 if (argv[i++] == argv[0]) {
951 found_prog_name = 1;
952 break;
953 }
954 i = 0;
955
956 args_info->inputs_num = argc - optind - found_prog_name;
957 args_info->inputs =
958 (char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
959 while (optind < argc)
960 if (argv[optind++] != argv[0])
961 args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
962 }
963
964 return 0;
965
966 failure:
967
968 cmdline_parser_release (&local_args_info);
969 return (EXIT_FAILURE);
970 }

Properties

Name Value
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