ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/applications/staticProps/StaticPropsCmd.c
Revision: 1513
Committed: Tue Oct 19 18:40:54 2010 UTC (14 years, 6 months ago) by gezelter
Content type: text/plain
File size: 54217 byte(s)
Log Message:
Adding an object count option to staticProps

File Contents

# Content
1 /*
2 File autogenerated by gengetopt version 2.22
3 generated with the following command:
4 gengetopt -F StaticPropsCmd -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 #include "getopt.h"
21
22 #include "StaticPropsCmd.h"
23
24 const char *gengetopt_args_info_purpose = "";
25
26 const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]... [FILES]...";
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 " -n, --step=INT process every n frame (default=`1')",
36 " -b, --nbins=INT number of bins (general purpose) \n (default=`100')",
37 " -x, --nbins_x=INT number of bins in x axis (default=`100')",
38 " -y, --nbins_y=INT number of bins in y axis (default=`100')",
39 " --nbins_z=INT number of bins in z axis (default=`100')",
40 " -a, --nanglebins=INT number of bins for cos(angle) (default=`50')",
41 " -c, --rcut=DOUBLE cutoff radius (rcut)",
42 " --dz=DOUBLE slab width (dz)",
43 " --length=DOUBLE maximum length (Defaults to 1/2 smallest length \n of first frame)",
44 " --zlength=DOUBLE maximum length (Defaults to 1/2 smallest length \n of first frame)",
45 " -z, --zoffset=DOUBLE Where to set the zero for the slab_density \n calculation (default=`0')",
46 " --sele1=selection script select the first stuntdouble set",
47 " --sele2=selection script select the second stuntdouble set",
48 " --sele3=selection script select the third stuntdouble set",
49 " --refsele=selection script\n select reference (use and only use with --gxyz)",
50 " --comsele=selection script\n select stunt doubles for center-of-mass \n reference point",
51 " --molname=STRING molecule name",
52 " --begin=INT begin internal index",
53 " --end=INT end internal index",
54 " --radius=DOUBLE nanoparticle radius",
55 "\n Group: staticProps\n an option of this group is required",
56 " --bo bond order parameter (--rcut must be specified)",
57 " --bor bond order parameter as a function of radius \n (--rcut must be specified)",
58 " --bad N(theta) bond angle density within (--rcut must \n be specified)",
59 " --count count of molecules matching selection criteria \n (and associated statistics)",
60 " -g, --gofr g(r)",
61 " --gofz g(z)",
62 " --r_theta g(r, cos(theta))",
63 " --r_omega g(r, cos(omega))",
64 " --r_z g(r, z)",
65 " --theta_omega g(cos(theta), cos(omega))",
66 " --gxyz g(x, y, z)",
67 " --twodgofr 2D g(r) (Slab width --dz must be specified)",
68 " -p, --p2 p2 order parameter (--sele1 and --sele2 must be \n specified)",
69 " --rp2 rp2 order parameter (--sele1 and --sele2 must \n be specified)",
70 " -s, --scd scd order parameter (either --sele1, --sele2, \n --sele3 are specified or --molname, --begin, \n --end are specified)",
71 " -d, --density density plot",
72 " --slab_density slab density",
73 " --p_angle p(cos(theta))",
74 " --hxy hxy",
75 " --rho_r rho of R",
76 " --hullvol hull volume of nanoparticle",
77 0
78 };
79
80 typedef enum {ARG_NO
81 , ARG_STRING
82 , ARG_INT
83 , ARG_DOUBLE
84 } cmdline_parser_arg_type;
85
86 static
87 void clear_given (struct gengetopt_args_info *args_info);
88 static
89 void clear_args (struct gengetopt_args_info *args_info);
90
91 static int
92 cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
93 struct cmdline_parser_params *params, const char *additional_error);
94
95 static int
96 cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error);
97
98 static char *
99 gengetopt_strdup (const char *s);
100
101 static
102 void clear_given (struct gengetopt_args_info *args_info)
103 {
104 args_info->help_given = 0 ;
105 args_info->version_given = 0 ;
106 args_info->input_given = 0 ;
107 args_info->output_given = 0 ;
108 args_info->step_given = 0 ;
109 args_info->nbins_given = 0 ;
110 args_info->nbins_x_given = 0 ;
111 args_info->nbins_y_given = 0 ;
112 args_info->nbins_z_given = 0 ;
113 args_info->nanglebins_given = 0 ;
114 args_info->rcut_given = 0 ;
115 args_info->dz_given = 0 ;
116 args_info->length_given = 0 ;
117 args_info->zlength_given = 0 ;
118 args_info->zoffset_given = 0 ;
119 args_info->sele1_given = 0 ;
120 args_info->sele2_given = 0 ;
121 args_info->sele3_given = 0 ;
122 args_info->refsele_given = 0 ;
123 args_info->comsele_given = 0 ;
124 args_info->molname_given = 0 ;
125 args_info->begin_given = 0 ;
126 args_info->end_given = 0 ;
127 args_info->radius_given = 0 ;
128 args_info->bo_given = 0 ;
129 args_info->bor_given = 0 ;
130 args_info->bad_given = 0 ;
131 args_info->count_given = 0 ;
132 args_info->gofr_given = 0 ;
133 args_info->gofz_given = 0 ;
134 args_info->r_theta_given = 0 ;
135 args_info->r_omega_given = 0 ;
136 args_info->r_z_given = 0 ;
137 args_info->theta_omega_given = 0 ;
138 args_info->gxyz_given = 0 ;
139 args_info->twodgofr_given = 0 ;
140 args_info->p2_given = 0 ;
141 args_info->rp2_given = 0 ;
142 args_info->scd_given = 0 ;
143 args_info->density_given = 0 ;
144 args_info->slab_density_given = 0 ;
145 args_info->p_angle_given = 0 ;
146 args_info->hxy_given = 0 ;
147 args_info->rho_r_given = 0 ;
148 args_info->hullvol_given = 0 ;
149 args_info->staticProps_group_counter = 0 ;
150 }
151
152 static
153 void clear_args (struct gengetopt_args_info *args_info)
154 {
155 args_info->input_arg = NULL;
156 args_info->input_orig = NULL;
157 args_info->output_arg = NULL;
158 args_info->output_orig = NULL;
159 args_info->step_arg = 1;
160 args_info->step_orig = NULL;
161 args_info->nbins_arg = 100;
162 args_info->nbins_orig = NULL;
163 args_info->nbins_x_arg = 100;
164 args_info->nbins_x_orig = NULL;
165 args_info->nbins_y_arg = 100;
166 args_info->nbins_y_orig = NULL;
167 args_info->nbins_z_arg = 100;
168 args_info->nbins_z_orig = NULL;
169 args_info->nanglebins_arg = 50;
170 args_info->nanglebins_orig = NULL;
171 args_info->rcut_orig = NULL;
172 args_info->dz_orig = NULL;
173 args_info->length_orig = NULL;
174 args_info->zlength_orig = NULL;
175 args_info->zoffset_arg = 0;
176 args_info->zoffset_orig = NULL;
177 args_info->sele1_arg = NULL;
178 args_info->sele1_orig = NULL;
179 args_info->sele2_arg = NULL;
180 args_info->sele2_orig = NULL;
181 args_info->sele3_arg = NULL;
182 args_info->sele3_orig = NULL;
183 args_info->refsele_arg = NULL;
184 args_info->refsele_orig = NULL;
185 args_info->comsele_arg = NULL;
186 args_info->comsele_orig = NULL;
187 args_info->molname_arg = NULL;
188 args_info->molname_orig = NULL;
189 args_info->begin_orig = NULL;
190 args_info->end_orig = NULL;
191 args_info->radius_orig = NULL;
192
193 }
194
195 static
196 void init_args_info(struct gengetopt_args_info *args_info)
197 {
198
199
200 args_info->help_help = gengetopt_args_info_help[0] ;
201 args_info->version_help = gengetopt_args_info_help[1] ;
202 args_info->input_help = gengetopt_args_info_help[2] ;
203 args_info->output_help = gengetopt_args_info_help[3] ;
204 args_info->step_help = gengetopt_args_info_help[4] ;
205 args_info->nbins_help = gengetopt_args_info_help[5] ;
206 args_info->nbins_x_help = gengetopt_args_info_help[6] ;
207 args_info->nbins_y_help = gengetopt_args_info_help[7] ;
208 args_info->nbins_z_help = gengetopt_args_info_help[8] ;
209 args_info->nanglebins_help = gengetopt_args_info_help[9] ;
210 args_info->rcut_help = gengetopt_args_info_help[10] ;
211 args_info->dz_help = gengetopt_args_info_help[11] ;
212 args_info->length_help = gengetopt_args_info_help[12] ;
213 args_info->zlength_help = gengetopt_args_info_help[13] ;
214 args_info->zoffset_help = gengetopt_args_info_help[14] ;
215 args_info->sele1_help = gengetopt_args_info_help[15] ;
216 args_info->sele2_help = gengetopt_args_info_help[16] ;
217 args_info->sele3_help = gengetopt_args_info_help[17] ;
218 args_info->refsele_help = gengetopt_args_info_help[18] ;
219 args_info->comsele_help = gengetopt_args_info_help[19] ;
220 args_info->molname_help = gengetopt_args_info_help[20] ;
221 args_info->begin_help = gengetopt_args_info_help[21] ;
222 args_info->end_help = gengetopt_args_info_help[22] ;
223 args_info->radius_help = gengetopt_args_info_help[23] ;
224 args_info->bo_help = gengetopt_args_info_help[25] ;
225 args_info->bor_help = gengetopt_args_info_help[26] ;
226 args_info->bad_help = gengetopt_args_info_help[27] ;
227 args_info->count_help = gengetopt_args_info_help[28] ;
228 args_info->gofr_help = gengetopt_args_info_help[29] ;
229 args_info->gofz_help = gengetopt_args_info_help[30] ;
230 args_info->r_theta_help = gengetopt_args_info_help[31] ;
231 args_info->r_omega_help = gengetopt_args_info_help[32] ;
232 args_info->r_z_help = gengetopt_args_info_help[33] ;
233 args_info->theta_omega_help = gengetopt_args_info_help[34] ;
234 args_info->gxyz_help = gengetopt_args_info_help[35] ;
235 args_info->twodgofr_help = gengetopt_args_info_help[36] ;
236 args_info->p2_help = gengetopt_args_info_help[37] ;
237 args_info->rp2_help = gengetopt_args_info_help[38] ;
238 args_info->scd_help = gengetopt_args_info_help[39] ;
239 args_info->density_help = gengetopt_args_info_help[40] ;
240 args_info->slab_density_help = gengetopt_args_info_help[41] ;
241 args_info->p_angle_help = gengetopt_args_info_help[42] ;
242 args_info->hxy_help = gengetopt_args_info_help[43] ;
243 args_info->rho_r_help = gengetopt_args_info_help[44] ;
244 args_info->hullvol_help = gengetopt_args_info_help[45] ;
245
246 }
247
248 void
249 cmdline_parser_print_version (void)
250 {
251 printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
252 }
253
254 static void print_help_common(void) {
255 cmdline_parser_print_version ();
256
257 if (strlen(gengetopt_args_info_purpose) > 0)
258 printf("\n%s\n", gengetopt_args_info_purpose);
259
260 if (strlen(gengetopt_args_info_usage) > 0)
261 printf("\n%s\n", gengetopt_args_info_usage);
262
263 printf("\n");
264
265 if (strlen(gengetopt_args_info_description) > 0)
266 printf("%s\n", gengetopt_args_info_description);
267 }
268
269 void
270 cmdline_parser_print_help (void)
271 {
272 int i = 0;
273 print_help_common();
274 while (gengetopt_args_info_help[i])
275 printf("%s\n", gengetopt_args_info_help[i++]);
276 }
277
278 void
279 cmdline_parser_init (struct gengetopt_args_info *args_info)
280 {
281 clear_given (args_info);
282 clear_args (args_info);
283 init_args_info (args_info);
284
285 args_info->inputs = NULL;
286 args_info->inputs_num = 0;
287 }
288
289 void
290 cmdline_parser_params_init(struct cmdline_parser_params *params)
291 {
292 if (params)
293 {
294 params->override = 0;
295 params->initialize = 1;
296 params->check_required = 1;
297 params->check_ambiguity = 0;
298 params->print_errors = 1;
299 }
300 }
301
302 struct cmdline_parser_params *
303 cmdline_parser_params_create(void)
304 {
305 struct cmdline_parser_params *params =
306 (struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params));
307 cmdline_parser_params_init(params);
308 return params;
309 }
310
311 static void
312 free_string_field (char **s)
313 {
314 if (*s)
315 {
316 free (*s);
317 *s = 0;
318 }
319 }
320
321
322 static void
323 cmdline_parser_release (struct gengetopt_args_info *args_info)
324 {
325 unsigned int i;
326 free_string_field (&(args_info->input_arg));
327 free_string_field (&(args_info->input_orig));
328 free_string_field (&(args_info->output_arg));
329 free_string_field (&(args_info->output_orig));
330 free_string_field (&(args_info->step_orig));
331 free_string_field (&(args_info->nbins_orig));
332 free_string_field (&(args_info->nbins_x_orig));
333 free_string_field (&(args_info->nbins_y_orig));
334 free_string_field (&(args_info->nbins_z_orig));
335 free_string_field (&(args_info->nanglebins_orig));
336 free_string_field (&(args_info->rcut_orig));
337 free_string_field (&(args_info->dz_orig));
338 free_string_field (&(args_info->length_orig));
339 free_string_field (&(args_info->zlength_orig));
340 free_string_field (&(args_info->zoffset_orig));
341 free_string_field (&(args_info->sele1_arg));
342 free_string_field (&(args_info->sele1_orig));
343 free_string_field (&(args_info->sele2_arg));
344 free_string_field (&(args_info->sele2_orig));
345 free_string_field (&(args_info->sele3_arg));
346 free_string_field (&(args_info->sele3_orig));
347 free_string_field (&(args_info->refsele_arg));
348 free_string_field (&(args_info->refsele_orig));
349 free_string_field (&(args_info->comsele_arg));
350 free_string_field (&(args_info->comsele_orig));
351 free_string_field (&(args_info->molname_arg));
352 free_string_field (&(args_info->molname_orig));
353 free_string_field (&(args_info->begin_orig));
354 free_string_field (&(args_info->end_orig));
355 free_string_field (&(args_info->radius_orig));
356
357
358 for (i = 0; i < args_info->inputs_num; ++i)
359 free (args_info->inputs [i]);
360
361 if (args_info->inputs_num)
362 free (args_info->inputs);
363
364 clear_given (args_info);
365 }
366
367
368 static void
369 write_into_file(FILE *outfile, const char *opt, const char *arg, char *values[])
370 {
371 if (arg) {
372 fprintf(outfile, "%s=\"%s\"\n", opt, arg);
373 } else {
374 fprintf(outfile, "%s\n", opt);
375 }
376 }
377
378
379 int
380 cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info)
381 {
382 int i = 0;
383
384 if (!outfile)
385 {
386 fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE);
387 return EXIT_FAILURE;
388 }
389
390 if (args_info->help_given)
391 write_into_file(outfile, "help", 0, 0 );
392 if (args_info->version_given)
393 write_into_file(outfile, "version", 0, 0 );
394 if (args_info->input_given)
395 write_into_file(outfile, "input", args_info->input_orig, 0);
396 if (args_info->output_given)
397 write_into_file(outfile, "output", args_info->output_orig, 0);
398 if (args_info->step_given)
399 write_into_file(outfile, "step", args_info->step_orig, 0);
400 if (args_info->nbins_given)
401 write_into_file(outfile, "nbins", args_info->nbins_orig, 0);
402 if (args_info->nbins_x_given)
403 write_into_file(outfile, "nbins_x", args_info->nbins_x_orig, 0);
404 if (args_info->nbins_y_given)
405 write_into_file(outfile, "nbins_y", args_info->nbins_y_orig, 0);
406 if (args_info->nbins_z_given)
407 write_into_file(outfile, "nbins_z", args_info->nbins_z_orig, 0);
408 if (args_info->nanglebins_given)
409 write_into_file(outfile, "nanglebins", args_info->nanglebins_orig, 0);
410 if (args_info->rcut_given)
411 write_into_file(outfile, "rcut", args_info->rcut_orig, 0);
412 if (args_info->dz_given)
413 write_into_file(outfile, "dz", args_info->dz_orig, 0);
414 if (args_info->length_given)
415 write_into_file(outfile, "length", args_info->length_orig, 0);
416 if (args_info->zlength_given)
417 write_into_file(outfile, "zlength", args_info->zlength_orig, 0);
418 if (args_info->zoffset_given)
419 write_into_file(outfile, "zoffset", args_info->zoffset_orig, 0);
420 if (args_info->sele1_given)
421 write_into_file(outfile, "sele1", args_info->sele1_orig, 0);
422 if (args_info->sele2_given)
423 write_into_file(outfile, "sele2", args_info->sele2_orig, 0);
424 if (args_info->sele3_given)
425 write_into_file(outfile, "sele3", args_info->sele3_orig, 0);
426 if (args_info->refsele_given)
427 write_into_file(outfile, "refsele", args_info->refsele_orig, 0);
428 if (args_info->comsele_given)
429 write_into_file(outfile, "comsele", args_info->comsele_orig, 0);
430 if (args_info->molname_given)
431 write_into_file(outfile, "molname", args_info->molname_orig, 0);
432 if (args_info->begin_given)
433 write_into_file(outfile, "begin", args_info->begin_orig, 0);
434 if (args_info->end_given)
435 write_into_file(outfile, "end", args_info->end_orig, 0);
436 if (args_info->radius_given)
437 write_into_file(outfile, "radius", args_info->radius_orig, 0);
438 if (args_info->bo_given)
439 write_into_file(outfile, "bo", 0, 0 );
440 if (args_info->bor_given)
441 write_into_file(outfile, "bor", 0, 0 );
442 if (args_info->bad_given)
443 write_into_file(outfile, "bad", 0, 0 );
444 if (args_info->count_given)
445 write_into_file(outfile, "count", 0, 0 );
446 if (args_info->gofr_given)
447 write_into_file(outfile, "gofr", 0, 0 );
448 if (args_info->gofz_given)
449 write_into_file(outfile, "gofz", 0, 0 );
450 if (args_info->r_theta_given)
451 write_into_file(outfile, "r_theta", 0, 0 );
452 if (args_info->r_omega_given)
453 write_into_file(outfile, "r_omega", 0, 0 );
454 if (args_info->r_z_given)
455 write_into_file(outfile, "r_z", 0, 0 );
456 if (args_info->theta_omega_given)
457 write_into_file(outfile, "theta_omega", 0, 0 );
458 if (args_info->gxyz_given)
459 write_into_file(outfile, "gxyz", 0, 0 );
460 if (args_info->twodgofr_given)
461 write_into_file(outfile, "twodgofr", 0, 0 );
462 if (args_info->p2_given)
463 write_into_file(outfile, "p2", 0, 0 );
464 if (args_info->rp2_given)
465 write_into_file(outfile, "rp2", 0, 0 );
466 if (args_info->scd_given)
467 write_into_file(outfile, "scd", 0, 0 );
468 if (args_info->density_given)
469 write_into_file(outfile, "density", 0, 0 );
470 if (args_info->slab_density_given)
471 write_into_file(outfile, "slab_density", 0, 0 );
472 if (args_info->p_angle_given)
473 write_into_file(outfile, "p_angle", 0, 0 );
474 if (args_info->hxy_given)
475 write_into_file(outfile, "hxy", 0, 0 );
476 if (args_info->rho_r_given)
477 write_into_file(outfile, "rho_r", 0, 0 );
478 if (args_info->hullvol_given)
479 write_into_file(outfile, "hullvol", 0, 0 );
480
481
482 i = EXIT_SUCCESS;
483 return i;
484 }
485
486 int
487 cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info)
488 {
489 FILE *outfile;
490 int i = 0;
491
492 outfile = fopen(filename, "w");
493
494 if (!outfile)
495 {
496 fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename);
497 return EXIT_FAILURE;
498 }
499
500 i = cmdline_parser_dump(outfile, args_info);
501 fclose (outfile);
502
503 return i;
504 }
505
506 void
507 cmdline_parser_free (struct gengetopt_args_info *args_info)
508 {
509 cmdline_parser_release (args_info);
510 }
511
512 /** @brief replacement of strdup, which is not standard */
513 char *
514 gengetopt_strdup (const char *s)
515 {
516 char *result = NULL;
517 if (!s)
518 return result;
519
520 result = (char*)malloc(strlen(s) + 1);
521 if (result == (char*)0)
522 return (char*)0;
523 strcpy(result, s);
524 return result;
525 }
526
527 static void
528 reset_group_staticProps(struct gengetopt_args_info *args_info)
529 {
530 if (! args_info->staticProps_group_counter)
531 return;
532
533 args_info->bo_given = 0 ;
534 args_info->bor_given = 0 ;
535 args_info->bad_given = 0 ;
536 args_info->count_given = 0 ;
537 args_info->gofr_given = 0 ;
538 args_info->gofz_given = 0 ;
539 args_info->r_theta_given = 0 ;
540 args_info->r_omega_given = 0 ;
541 args_info->r_z_given = 0 ;
542 args_info->theta_omega_given = 0 ;
543 args_info->gxyz_given = 0 ;
544 args_info->twodgofr_given = 0 ;
545 args_info->p2_given = 0 ;
546 args_info->rp2_given = 0 ;
547 args_info->scd_given = 0 ;
548 args_info->density_given = 0 ;
549 args_info->slab_density_given = 0 ;
550 args_info->p_angle_given = 0 ;
551 args_info->hxy_given = 0 ;
552 args_info->rho_r_given = 0 ;
553 args_info->hullvol_given = 0 ;
554
555 args_info->staticProps_group_counter = 0;
556 }
557
558 int
559 cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
560 {
561 return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
562 }
563
564 int
565 cmdline_parser_ext (int argc, char * const *argv, struct gengetopt_args_info *args_info,
566 struct cmdline_parser_params *params)
567 {
568 int result;
569 result = cmdline_parser_internal (argc, argv, args_info, params, NULL);
570
571 if (result == EXIT_FAILURE)
572 {
573 cmdline_parser_free (args_info);
574 exit (EXIT_FAILURE);
575 }
576
577 return result;
578 }
579
580 int
581 cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
582 {
583 int result;
584 struct cmdline_parser_params params;
585
586 params.override = override;
587 params.initialize = initialize;
588 params.check_required = check_required;
589 params.check_ambiguity = 0;
590 params.print_errors = 1;
591
592 result = cmdline_parser_internal (argc, argv, args_info, &params, NULL);
593
594 if (result == EXIT_FAILURE)
595 {
596 cmdline_parser_free (args_info);
597 exit (EXIT_FAILURE);
598 }
599
600 return result;
601 }
602
603 int
604 cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name)
605 {
606 int result = EXIT_SUCCESS;
607
608 if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
609 result = EXIT_FAILURE;
610
611 if (result == EXIT_FAILURE)
612 {
613 cmdline_parser_free (args_info);
614 exit (EXIT_FAILURE);
615 }
616
617 return result;
618 }
619
620 int
621 cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
622 {
623 int error = 0;
624
625 /* checks for required options */
626 if (! args_info->input_given)
627 {
628 fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : ""));
629 error = 1;
630 }
631
632 if (args_info->staticProps_group_counter == 0)
633 {
634 fprintf (stderr, "%s: %d options of group staticProps were given. One is required.%s\n", prog_name, args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
635 error = 1;
636 }
637
638
639 /* checks for dependences among options */
640
641 return error;
642 }
643
644
645 static char *package_name = 0;
646
647 /**
648 * @brief updates an option
649 * @param field the generic pointer to the field to update
650 * @param orig_field the pointer to the orig field
651 * @param field_given the pointer to the number of occurrence of this option
652 * @param prev_given the pointer to the number of occurrence already seen
653 * @param value the argument for this option (if null no arg was specified)
654 * @param possible_values the possible values for this option (if specified)
655 * @param default_value the default value (in case the option only accepts fixed values)
656 * @param arg_type the type of this option
657 * @param check_ambiguity @see cmdline_parser_params.check_ambiguity
658 * @param override @see cmdline_parser_params.override
659 * @param no_free whether to free a possible previous value
660 * @param multiple_option whether this is a multiple option
661 * @param long_opt the corresponding long option
662 * @param short_opt the corresponding short option (or '-' if none)
663 * @param additional_error possible further error specification
664 */
665 static
666 int update_arg(void *field, char **orig_field,
667 unsigned int *field_given, unsigned int *prev_given,
668 char *value, char *possible_values[], const char *default_value,
669 cmdline_parser_arg_type arg_type,
670 int check_ambiguity, int override,
671 int no_free, int multiple_option,
672 const char *long_opt, char short_opt,
673 const char *additional_error)
674 {
675 char *stop_char = 0;
676 const char *val = value;
677 int found;
678 char **string_field;
679
680 stop_char = 0;
681 found = 0;
682
683 if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given)))
684 {
685 if (short_opt != '-')
686 fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n",
687 package_name, long_opt, short_opt,
688 (additional_error ? additional_error : ""));
689 else
690 fprintf (stderr, "%s: `--%s' option given more than once%s\n",
691 package_name, long_opt,
692 (additional_error ? additional_error : ""));
693 return 1; /* failure */
694 }
695
696
697 if (field_given && *field_given && ! override)
698 return 0;
699 if (prev_given)
700 (*prev_given)++;
701 if (field_given)
702 (*field_given)++;
703 if (possible_values)
704 val = possible_values[found];
705
706 switch(arg_type) {
707 case ARG_INT:
708 if (val) *((int *)field) = strtol (val, &stop_char, 0);
709 break;
710 case ARG_DOUBLE:
711 if (val) *((double *)field) = strtod (val, &stop_char);
712 break;
713 case ARG_STRING:
714 if (val) {
715 string_field = (char **)field;
716 if (!no_free && *string_field)
717 free (*string_field); /* free previous string */
718 *string_field = gengetopt_strdup (val);
719 }
720 break;
721 default:
722 break;
723 };
724
725 /* check numeric conversion */
726 switch(arg_type) {
727 case ARG_INT:
728 case ARG_DOUBLE:
729 if (val && !(stop_char && *stop_char == '\0')) {
730 fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val);
731 return 1; /* failure */
732 }
733 break;
734 default:
735 ;
736 };
737
738 /* store the original value */
739 switch(arg_type) {
740 case ARG_NO:
741 break;
742 default:
743 if (value && orig_field) {
744 if (no_free) {
745 *orig_field = value;
746 } else {
747 if (*orig_field)
748 free (*orig_field); /* free previous string */
749 *orig_field = gengetopt_strdup (value);
750 }
751 }
752 };
753
754 return 0; /* OK */
755 }
756
757
758 int
759 cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
760 struct cmdline_parser_params *params, const char *additional_error)
761 {
762 int c; /* Character of the parsed option. */
763
764 int error = 0;
765 struct gengetopt_args_info local_args_info;
766
767 int override;
768 int initialize;
769 int check_required;
770 int check_ambiguity;
771
772 package_name = argv[0];
773
774 override = params->override;
775 initialize = params->initialize;
776 check_required = params->check_required;
777 check_ambiguity = params->check_ambiguity;
778
779 if (initialize)
780 cmdline_parser_init (args_info);
781
782 cmdline_parser_init (&local_args_info);
783
784 optarg = 0;
785 optind = 0;
786 opterr = params->print_errors;
787 optopt = '?';
788
789 while (1)
790 {
791 int option_index = 0;
792
793 static struct option long_options[] = {
794 { "help", 0, NULL, 'h' },
795 { "version", 0, NULL, 'V' },
796 { "input", 1, NULL, 'i' },
797 { "output", 1, NULL, 'o' },
798 { "step", 1, NULL, 'n' },
799 { "nbins", 1, NULL, 'b' },
800 { "nbins_x", 1, NULL, 'x' },
801 { "nbins_y", 1, NULL, 'y' },
802 { "nbins_z", 1, NULL, 0 },
803 { "nanglebins", 1, NULL, 'a' },
804 { "rcut", 1, NULL, 'c' },
805 { "dz", 1, NULL, 0 },
806 { "length", 1, NULL, 0 },
807 { "zlength", 1, NULL, 0 },
808 { "zoffset", 1, NULL, 'z' },
809 { "sele1", 1, NULL, 0 },
810 { "sele2", 1, NULL, 0 },
811 { "sele3", 1, NULL, 0 },
812 { "refsele", 1, NULL, 0 },
813 { "comsele", 1, NULL, 0 },
814 { "molname", 1, NULL, 0 },
815 { "begin", 1, NULL, 0 },
816 { "end", 1, NULL, 0 },
817 { "radius", 1, NULL, 0 },
818 { "bo", 0, NULL, 0 },
819 { "bor", 0, NULL, 0 },
820 { "bad", 0, NULL, 0 },
821 { "count", 0, NULL, 0 },
822 { "gofr", 0, NULL, 'g' },
823 { "gofz", 0, NULL, 0 },
824 { "r_theta", 0, NULL, 0 },
825 { "r_omega", 0, NULL, 0 },
826 { "r_z", 0, NULL, 0 },
827 { "theta_omega", 0, NULL, 0 },
828 { "gxyz", 0, NULL, 0 },
829 { "twodgofr", 0, NULL, 0 },
830 { "p2", 0, NULL, 'p' },
831 { "rp2", 0, NULL, 0 },
832 { "scd", 0, NULL, 's' },
833 { "density", 0, NULL, 'd' },
834 { "slab_density", 0, NULL, 0 },
835 { "p_angle", 0, NULL, 0 },
836 { "hxy", 0, NULL, 0 },
837 { "rho_r", 0, NULL, 0 },
838 { "hullvol", 0, NULL, 0 },
839 { NULL, 0, NULL, 0 }
840 };
841
842 c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsd", long_options, &option_index);
843
844 if (c == -1) break; /* Exit from `while (1)' loop. */
845
846 switch (c)
847 {
848 case 'h': /* Print help and exit. */
849 cmdline_parser_print_help ();
850 cmdline_parser_free (&local_args_info);
851 exit (EXIT_SUCCESS);
852
853 case 'V': /* Print version and exit. */
854 cmdline_parser_print_version ();
855 cmdline_parser_free (&local_args_info);
856 exit (EXIT_SUCCESS);
857
858 case 'i': /* input dump file. */
859
860
861 if (update_arg( (void *)&(args_info->input_arg),
862 &(args_info->input_orig), &(args_info->input_given),
863 &(local_args_info.input_given), optarg, 0, 0, ARG_STRING,
864 check_ambiguity, override, 0, 0,
865 "input", 'i',
866 additional_error))
867 goto failure;
868
869 break;
870 case 'o': /* output file name. */
871
872
873 if (update_arg( (void *)&(args_info->output_arg),
874 &(args_info->output_orig), &(args_info->output_given),
875 &(local_args_info.output_given), optarg, 0, 0, ARG_STRING,
876 check_ambiguity, override, 0, 0,
877 "output", 'o',
878 additional_error))
879 goto failure;
880
881 break;
882 case 'n': /* process every n frame. */
883
884
885 if (update_arg( (void *)&(args_info->step_arg),
886 &(args_info->step_orig), &(args_info->step_given),
887 &(local_args_info.step_given), optarg, 0, "1", ARG_INT,
888 check_ambiguity, override, 0, 0,
889 "step", 'n',
890 additional_error))
891 goto failure;
892
893 break;
894 case 'b': /* number of bins (general purpose). */
895
896
897 if (update_arg( (void *)&(args_info->nbins_arg),
898 &(args_info->nbins_orig), &(args_info->nbins_given),
899 &(local_args_info.nbins_given), optarg, 0, "100", ARG_INT,
900 check_ambiguity, override, 0, 0,
901 "nbins", 'b',
902 additional_error))
903 goto failure;
904
905 break;
906 case 'x': /* number of bins in x axis. */
907
908
909 if (update_arg( (void *)&(args_info->nbins_x_arg),
910 &(args_info->nbins_x_orig), &(args_info->nbins_x_given),
911 &(local_args_info.nbins_x_given), optarg, 0, "100", ARG_INT,
912 check_ambiguity, override, 0, 0,
913 "nbins_x", 'x',
914 additional_error))
915 goto failure;
916
917 break;
918 case 'y': /* number of bins in y axis. */
919
920
921 if (update_arg( (void *)&(args_info->nbins_y_arg),
922 &(args_info->nbins_y_orig), &(args_info->nbins_y_given),
923 &(local_args_info.nbins_y_given), optarg, 0, "100", ARG_INT,
924 check_ambiguity, override, 0, 0,
925 "nbins_y", 'y',
926 additional_error))
927 goto failure;
928
929 break;
930 case 'a': /* number of bins for cos(angle). */
931
932
933 if (update_arg( (void *)&(args_info->nanglebins_arg),
934 &(args_info->nanglebins_orig), &(args_info->nanglebins_given),
935 &(local_args_info.nanglebins_given), optarg, 0, "50", ARG_INT,
936 check_ambiguity, override, 0, 0,
937 "nanglebins", 'a',
938 additional_error))
939 goto failure;
940
941 break;
942 case 'c': /* cutoff radius (rcut). */
943
944
945 if (update_arg( (void *)&(args_info->rcut_arg),
946 &(args_info->rcut_orig), &(args_info->rcut_given),
947 &(local_args_info.rcut_given), optarg, 0, 0, ARG_DOUBLE,
948 check_ambiguity, override, 0, 0,
949 "rcut", 'c',
950 additional_error))
951 goto failure;
952
953 break;
954 case 'z': /* Where to set the zero for the slab_density calculation. */
955
956
957 if (update_arg( (void *)&(args_info->zoffset_arg),
958 &(args_info->zoffset_orig), &(args_info->zoffset_given),
959 &(local_args_info.zoffset_given), optarg, 0, "0", ARG_DOUBLE,
960 check_ambiguity, override, 0, 0,
961 "zoffset", 'z',
962 additional_error))
963 goto failure;
964
965 break;
966 case 'g': /* g(r). */
967
968 if (args_info->staticProps_group_counter && override)
969 reset_group_staticProps (args_info);
970 args_info->staticProps_group_counter += 1;
971
972 if (update_arg( 0 ,
973 0 , &(args_info->gofr_given),
974 &(local_args_info.gofr_given), optarg, 0, 0, ARG_NO,
975 check_ambiguity, override, 0, 0,
976 "gofr", 'g',
977 additional_error))
978 goto failure;
979
980 break;
981 case 'p': /* p2 order parameter (--sele1 and --sele2 must be specified). */
982
983 if (args_info->staticProps_group_counter && override)
984 reset_group_staticProps (args_info);
985 args_info->staticProps_group_counter += 1;
986
987 if (update_arg( 0 ,
988 0 , &(args_info->p2_given),
989 &(local_args_info.p2_given), optarg, 0, 0, ARG_NO,
990 check_ambiguity, override, 0, 0,
991 "p2", 'p',
992 additional_error))
993 goto failure;
994
995 break;
996 case 's': /* scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified). */
997
998 if (args_info->staticProps_group_counter && override)
999 reset_group_staticProps (args_info);
1000 args_info->staticProps_group_counter += 1;
1001
1002 if (update_arg( 0 ,
1003 0 , &(args_info->scd_given),
1004 &(local_args_info.scd_given), optarg, 0, 0, ARG_NO,
1005 check_ambiguity, override, 0, 0,
1006 "scd", 's',
1007 additional_error))
1008 goto failure;
1009
1010 break;
1011 case 'd': /* density plot. */
1012
1013 if (args_info->staticProps_group_counter && override)
1014 reset_group_staticProps (args_info);
1015 args_info->staticProps_group_counter += 1;
1016
1017 if (update_arg( 0 ,
1018 0 , &(args_info->density_given),
1019 &(local_args_info.density_given), optarg, 0, 0, ARG_NO,
1020 check_ambiguity, override, 0, 0,
1021 "density", 'd',
1022 additional_error))
1023 goto failure;
1024
1025 break;
1026
1027 case 0: /* Long option with no short option */
1028 /* number of bins in z axis. */
1029 if (strcmp (long_options[option_index].name, "nbins_z") == 0)
1030 {
1031
1032
1033 if (update_arg( (void *)&(args_info->nbins_z_arg),
1034 &(args_info->nbins_z_orig), &(args_info->nbins_z_given),
1035 &(local_args_info.nbins_z_given), optarg, 0, "100", ARG_INT,
1036 check_ambiguity, override, 0, 0,
1037 "nbins_z", '-',
1038 additional_error))
1039 goto failure;
1040
1041 }
1042 /* slab width (dz). */
1043 else if (strcmp (long_options[option_index].name, "dz") == 0)
1044 {
1045
1046
1047 if (update_arg( (void *)&(args_info->dz_arg),
1048 &(args_info->dz_orig), &(args_info->dz_given),
1049 &(local_args_info.dz_given), optarg, 0, 0, ARG_DOUBLE,
1050 check_ambiguity, override, 0, 0,
1051 "dz", '-',
1052 additional_error))
1053 goto failure;
1054
1055 }
1056 /* maximum length (Defaults to 1/2 smallest length of first frame). */
1057 else if (strcmp (long_options[option_index].name, "length") == 0)
1058 {
1059
1060
1061 if (update_arg( (void *)&(args_info->length_arg),
1062 &(args_info->length_orig), &(args_info->length_given),
1063 &(local_args_info.length_given), optarg, 0, 0, ARG_DOUBLE,
1064 check_ambiguity, override, 0, 0,
1065 "length", '-',
1066 additional_error))
1067 goto failure;
1068
1069 }
1070 /* maximum length (Defaults to 1/2 smallest length of first frame). */
1071 else if (strcmp (long_options[option_index].name, "zlength") == 0)
1072 {
1073
1074
1075 if (update_arg( (void *)&(args_info->zlength_arg),
1076 &(args_info->zlength_orig), &(args_info->zlength_given),
1077 &(local_args_info.zlength_given), optarg, 0, 0, ARG_DOUBLE,
1078 check_ambiguity, override, 0, 0,
1079 "zlength", '-',
1080 additional_error))
1081 goto failure;
1082
1083 }
1084 /* select the first stuntdouble set. */
1085 else if (strcmp (long_options[option_index].name, "sele1") == 0)
1086 {
1087
1088
1089 if (update_arg( (void *)&(args_info->sele1_arg),
1090 &(args_info->sele1_orig), &(args_info->sele1_given),
1091 &(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING,
1092 check_ambiguity, override, 0, 0,
1093 "sele1", '-',
1094 additional_error))
1095 goto failure;
1096
1097 }
1098 /* select the second stuntdouble set. */
1099 else if (strcmp (long_options[option_index].name, "sele2") == 0)
1100 {
1101
1102
1103 if (update_arg( (void *)&(args_info->sele2_arg),
1104 &(args_info->sele2_orig), &(args_info->sele2_given),
1105 &(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING,
1106 check_ambiguity, override, 0, 0,
1107 "sele2", '-',
1108 additional_error))
1109 goto failure;
1110
1111 }
1112 /* select the third stuntdouble set. */
1113 else if (strcmp (long_options[option_index].name, "sele3") == 0)
1114 {
1115
1116
1117 if (update_arg( (void *)&(args_info->sele3_arg),
1118 &(args_info->sele3_orig), &(args_info->sele3_given),
1119 &(local_args_info.sele3_given), optarg, 0, 0, ARG_STRING,
1120 check_ambiguity, override, 0, 0,
1121 "sele3", '-',
1122 additional_error))
1123 goto failure;
1124
1125 }
1126 /* select reference (use and only use with --gxyz). */
1127 else if (strcmp (long_options[option_index].name, "refsele") == 0)
1128 {
1129
1130
1131 if (update_arg( (void *)&(args_info->refsele_arg),
1132 &(args_info->refsele_orig), &(args_info->refsele_given),
1133 &(local_args_info.refsele_given), optarg, 0, 0, ARG_STRING,
1134 check_ambiguity, override, 0, 0,
1135 "refsele", '-',
1136 additional_error))
1137 goto failure;
1138
1139 }
1140 /* select stunt doubles for center-of-mass reference point. */
1141 else if (strcmp (long_options[option_index].name, "comsele") == 0)
1142 {
1143
1144
1145 if (update_arg( (void *)&(args_info->comsele_arg),
1146 &(args_info->comsele_orig), &(args_info->comsele_given),
1147 &(local_args_info.comsele_given), optarg, 0, 0, ARG_STRING,
1148 check_ambiguity, override, 0, 0,
1149 "comsele", '-',
1150 additional_error))
1151 goto failure;
1152
1153 }
1154 /* molecule name. */
1155 else if (strcmp (long_options[option_index].name, "molname") == 0)
1156 {
1157
1158
1159 if (update_arg( (void *)&(args_info->molname_arg),
1160 &(args_info->molname_orig), &(args_info->molname_given),
1161 &(local_args_info.molname_given), optarg, 0, 0, ARG_STRING,
1162 check_ambiguity, override, 0, 0,
1163 "molname", '-',
1164 additional_error))
1165 goto failure;
1166
1167 }
1168 /* begin internal index. */
1169 else if (strcmp (long_options[option_index].name, "begin") == 0)
1170 {
1171
1172
1173 if (update_arg( (void *)&(args_info->begin_arg),
1174 &(args_info->begin_orig), &(args_info->begin_given),
1175 &(local_args_info.begin_given), optarg, 0, 0, ARG_INT,
1176 check_ambiguity, override, 0, 0,
1177 "begin", '-',
1178 additional_error))
1179 goto failure;
1180
1181 }
1182 /* end internal index. */
1183 else if (strcmp (long_options[option_index].name, "end") == 0)
1184 {
1185
1186
1187 if (update_arg( (void *)&(args_info->end_arg),
1188 &(args_info->end_orig), &(args_info->end_given),
1189 &(local_args_info.end_given), optarg, 0, 0, ARG_INT,
1190 check_ambiguity, override, 0, 0,
1191 "end", '-',
1192 additional_error))
1193 goto failure;
1194
1195 }
1196 /* nanoparticle radius. */
1197 else if (strcmp (long_options[option_index].name, "radius") == 0)
1198 {
1199
1200
1201 if (update_arg( (void *)&(args_info->radius_arg),
1202 &(args_info->radius_orig), &(args_info->radius_given),
1203 &(local_args_info.radius_given), optarg, 0, 0, ARG_DOUBLE,
1204 check_ambiguity, override, 0, 0,
1205 "radius", '-',
1206 additional_error))
1207 goto failure;
1208
1209 }
1210 /* bond order parameter (--rcut must be specified). */
1211 else if (strcmp (long_options[option_index].name, "bo") == 0)
1212 {
1213
1214 if (args_info->staticProps_group_counter && override)
1215 reset_group_staticProps (args_info);
1216 args_info->staticProps_group_counter += 1;
1217
1218 if (update_arg( 0 ,
1219 0 , &(args_info->bo_given),
1220 &(local_args_info.bo_given), optarg, 0, 0, ARG_NO,
1221 check_ambiguity, override, 0, 0,
1222 "bo", '-',
1223 additional_error))
1224 goto failure;
1225
1226 }
1227 /* bond order parameter as a function of radius (--rcut must be specified). */
1228 else if (strcmp (long_options[option_index].name, "bor") == 0)
1229 {
1230
1231 if (args_info->staticProps_group_counter && override)
1232 reset_group_staticProps (args_info);
1233 args_info->staticProps_group_counter += 1;
1234
1235 if (update_arg( 0 ,
1236 0 , &(args_info->bor_given),
1237 &(local_args_info.bor_given), optarg, 0, 0, ARG_NO,
1238 check_ambiguity, override, 0, 0,
1239 "bor", '-',
1240 additional_error))
1241 goto failure;
1242
1243 }
1244 /* N(theta) bond angle density within (--rcut must be specified). */
1245 else if (strcmp (long_options[option_index].name, "bad") == 0)
1246 {
1247
1248 if (args_info->staticProps_group_counter && override)
1249 reset_group_staticProps (args_info);
1250 args_info->staticProps_group_counter += 1;
1251
1252 if (update_arg( 0 ,
1253 0 , &(args_info->bad_given),
1254 &(local_args_info.bad_given), optarg, 0, 0, ARG_NO,
1255 check_ambiguity, override, 0, 0,
1256 "bad", '-',
1257 additional_error))
1258 goto failure;
1259
1260 }
1261 /* count of molecules matching selection criteria (and associated statistics). */
1262 else if (strcmp (long_options[option_index].name, "count") == 0)
1263 {
1264
1265 if (args_info->staticProps_group_counter && override)
1266 reset_group_staticProps (args_info);
1267 args_info->staticProps_group_counter += 1;
1268
1269 if (update_arg( 0 ,
1270 0 , &(args_info->count_given),
1271 &(local_args_info.count_given), optarg, 0, 0, ARG_NO,
1272 check_ambiguity, override, 0, 0,
1273 "count", '-',
1274 additional_error))
1275 goto failure;
1276
1277 }
1278 /* g(z). */
1279 else if (strcmp (long_options[option_index].name, "gofz") == 0)
1280 {
1281
1282 if (args_info->staticProps_group_counter && override)
1283 reset_group_staticProps (args_info);
1284 args_info->staticProps_group_counter += 1;
1285
1286 if (update_arg( 0 ,
1287 0 , &(args_info->gofz_given),
1288 &(local_args_info.gofz_given), optarg, 0, 0, ARG_NO,
1289 check_ambiguity, override, 0, 0,
1290 "gofz", '-',
1291 additional_error))
1292 goto failure;
1293
1294 }
1295 /* g(r, cos(theta)). */
1296 else if (strcmp (long_options[option_index].name, "r_theta") == 0)
1297 {
1298
1299 if (args_info->staticProps_group_counter && override)
1300 reset_group_staticProps (args_info);
1301 args_info->staticProps_group_counter += 1;
1302
1303 if (update_arg( 0 ,
1304 0 , &(args_info->r_theta_given),
1305 &(local_args_info.r_theta_given), optarg, 0, 0, ARG_NO,
1306 check_ambiguity, override, 0, 0,
1307 "r_theta", '-',
1308 additional_error))
1309 goto failure;
1310
1311 }
1312 /* g(r, cos(omega)). */
1313 else if (strcmp (long_options[option_index].name, "r_omega") == 0)
1314 {
1315
1316 if (args_info->staticProps_group_counter && override)
1317 reset_group_staticProps (args_info);
1318 args_info->staticProps_group_counter += 1;
1319
1320 if (update_arg( 0 ,
1321 0 , &(args_info->r_omega_given),
1322 &(local_args_info.r_omega_given), optarg, 0, 0, ARG_NO,
1323 check_ambiguity, override, 0, 0,
1324 "r_omega", '-',
1325 additional_error))
1326 goto failure;
1327
1328 }
1329 /* g(r, z). */
1330 else if (strcmp (long_options[option_index].name, "r_z") == 0)
1331 {
1332
1333 if (args_info->staticProps_group_counter && override)
1334 reset_group_staticProps (args_info);
1335 args_info->staticProps_group_counter += 1;
1336
1337 if (update_arg( 0 ,
1338 0 , &(args_info->r_z_given),
1339 &(local_args_info.r_z_given), optarg, 0, 0, ARG_NO,
1340 check_ambiguity, override, 0, 0,
1341 "r_z", '-',
1342 additional_error))
1343 goto failure;
1344
1345 }
1346 /* g(cos(theta), cos(omega)). */
1347 else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
1348 {
1349
1350 if (args_info->staticProps_group_counter && override)
1351 reset_group_staticProps (args_info);
1352 args_info->staticProps_group_counter += 1;
1353
1354 if (update_arg( 0 ,
1355 0 , &(args_info->theta_omega_given),
1356 &(local_args_info.theta_omega_given), optarg, 0, 0, ARG_NO,
1357 check_ambiguity, override, 0, 0,
1358 "theta_omega", '-',
1359 additional_error))
1360 goto failure;
1361
1362 }
1363 /* g(x, y, z). */
1364 else if (strcmp (long_options[option_index].name, "gxyz") == 0)
1365 {
1366
1367 if (args_info->staticProps_group_counter && override)
1368 reset_group_staticProps (args_info);
1369 args_info->staticProps_group_counter += 1;
1370
1371 if (update_arg( 0 ,
1372 0 , &(args_info->gxyz_given),
1373 &(local_args_info.gxyz_given), optarg, 0, 0, ARG_NO,
1374 check_ambiguity, override, 0, 0,
1375 "gxyz", '-',
1376 additional_error))
1377 goto failure;
1378
1379 }
1380 /* 2D g(r) (Slab width --dz must be specified). */
1381 else if (strcmp (long_options[option_index].name, "twodgofr") == 0)
1382 {
1383
1384 if (args_info->staticProps_group_counter && override)
1385 reset_group_staticProps (args_info);
1386 args_info->staticProps_group_counter += 1;
1387
1388 if (update_arg( 0 ,
1389 0 , &(args_info->twodgofr_given),
1390 &(local_args_info.twodgofr_given), optarg, 0, 0, ARG_NO,
1391 check_ambiguity, override, 0, 0,
1392 "twodgofr", '-',
1393 additional_error))
1394 goto failure;
1395
1396 }
1397 /* rp2 order parameter (--sele1 and --sele2 must be specified). */
1398 else if (strcmp (long_options[option_index].name, "rp2") == 0)
1399 {
1400
1401 if (args_info->staticProps_group_counter && override)
1402 reset_group_staticProps (args_info);
1403 args_info->staticProps_group_counter += 1;
1404
1405 if (update_arg( 0 ,
1406 0 , &(args_info->rp2_given),
1407 &(local_args_info.rp2_given), optarg, 0, 0, ARG_NO,
1408 check_ambiguity, override, 0, 0,
1409 "rp2", '-',
1410 additional_error))
1411 goto failure;
1412
1413 }
1414 /* slab density. */
1415 else if (strcmp (long_options[option_index].name, "slab_density") == 0)
1416 {
1417
1418 if (args_info->staticProps_group_counter && override)
1419 reset_group_staticProps (args_info);
1420 args_info->staticProps_group_counter += 1;
1421
1422 if (update_arg( 0 ,
1423 0 , &(args_info->slab_density_given),
1424 &(local_args_info.slab_density_given), optarg, 0, 0, ARG_NO,
1425 check_ambiguity, override, 0, 0,
1426 "slab_density", '-',
1427 additional_error))
1428 goto failure;
1429
1430 }
1431 /* p(cos(theta)). */
1432 else if (strcmp (long_options[option_index].name, "p_angle") == 0)
1433 {
1434
1435 if (args_info->staticProps_group_counter && override)
1436 reset_group_staticProps (args_info);
1437 args_info->staticProps_group_counter += 1;
1438
1439 if (update_arg( 0 ,
1440 0 , &(args_info->p_angle_given),
1441 &(local_args_info.p_angle_given), optarg, 0, 0, ARG_NO,
1442 check_ambiguity, override, 0, 0,
1443 "p_angle", '-',
1444 additional_error))
1445 goto failure;
1446
1447 }
1448 /* hxy. */
1449 else if (strcmp (long_options[option_index].name, "hxy") == 0)
1450 {
1451
1452 if (args_info->staticProps_group_counter && override)
1453 reset_group_staticProps (args_info);
1454 args_info->staticProps_group_counter += 1;
1455
1456 if (update_arg( 0 ,
1457 0 , &(args_info->hxy_given),
1458 &(local_args_info.hxy_given), optarg, 0, 0, ARG_NO,
1459 check_ambiguity, override, 0, 0,
1460 "hxy", '-',
1461 additional_error))
1462 goto failure;
1463
1464 }
1465 /* rho of R. */
1466 else if (strcmp (long_options[option_index].name, "rho_r") == 0)
1467 {
1468
1469 if (args_info->staticProps_group_counter && override)
1470 reset_group_staticProps (args_info);
1471 args_info->staticProps_group_counter += 1;
1472
1473 if (update_arg( 0 ,
1474 0 , &(args_info->rho_r_given),
1475 &(local_args_info.rho_r_given), optarg, 0, 0, ARG_NO,
1476 check_ambiguity, override, 0, 0,
1477 "rho_r", '-',
1478 additional_error))
1479 goto failure;
1480
1481 }
1482 /* hull volume of nanoparticle. */
1483 else if (strcmp (long_options[option_index].name, "hullvol") == 0)
1484 {
1485
1486 if (args_info->staticProps_group_counter && override)
1487 reset_group_staticProps (args_info);
1488 args_info->staticProps_group_counter += 1;
1489
1490 if (update_arg( 0 ,
1491 0 , &(args_info->hullvol_given),
1492 &(local_args_info.hullvol_given), optarg, 0, 0, ARG_NO,
1493 check_ambiguity, override, 0, 0,
1494 "hullvol", '-',
1495 additional_error))
1496 goto failure;
1497
1498 }
1499
1500 break;
1501 case '?': /* Invalid option. */
1502 /* `getopt_long' already printed an error message. */
1503 goto failure;
1504
1505 default: /* bug: option not considered. */
1506 fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : ""));
1507 abort ();
1508 } /* switch */
1509 } /* while */
1510
1511 if (args_info->staticProps_group_counter > 1)
1512 {
1513 fprintf (stderr, "%s: %d options of group staticProps were given. One is required.%s\n", argv[0], args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
1514 error = 1;
1515 }
1516
1517
1518
1519 if (check_required)
1520 {
1521 error += cmdline_parser_required2 (args_info, argv[0], additional_error);
1522 }
1523
1524 cmdline_parser_release (&local_args_info);
1525
1526 if ( error )
1527 return (EXIT_FAILURE);
1528
1529 if (optind < argc)
1530 {
1531 int i = 0 ;
1532 int found_prog_name = 0;
1533 /* whether program name, i.e., argv[0], is in the remaining args
1534 (this may happen with some implementations of getopt,
1535 but surely not with the one included by gengetopt) */
1536
1537 i = optind;
1538 while (i < argc)
1539 if (argv[i++] == argv[0]) {
1540 found_prog_name = 1;
1541 break;
1542 }
1543 i = 0;
1544
1545 args_info->inputs_num = argc - optind - found_prog_name;
1546 args_info->inputs =
1547 (char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
1548 while (optind < argc)
1549 if (argv[optind++] != argv[0])
1550 args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
1551 }
1552
1553 return 0;
1554
1555 failure:
1556
1557 cmdline_parser_release (&local_args_info);
1558 return (EXIT_FAILURE);
1559 }

Properties

Name Value
svn:keywords Author Id Revision Date