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root/OpenMD/branches/development/src/applications/staticProps/StaticPropsCmd.cpp
Revision: 1655
Committed: Mon Oct 3 20:32:45 2011 UTC (13 years, 6 months ago) by gezelter
File size: 57286 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 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 #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 "StaticPropsCmd.h"
27
28 const char *gengetopt_args_info_purpose = "";
29
30 const char *gengetopt_args_info_usage = "Usage: StaticProps [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 " -n, --step=INT process every n frame (default=`1')",
40 " -b, --nbins=INT number of bins (general purpose) \n (default=`100')",
41 " -x, --nbins_x=INT number of bins in x axis (default=`100')",
42 " -y, --nbins_y=INT number of bins in y axis (default=`100')",
43 " --nbins_z=INT number of bins in z axis (default=`100')",
44 " -a, --nanglebins=INT number of bins for cos(angle) (default=`50')",
45 " -c, --rcut=DOUBLE cutoff radius (rcut)",
46 " --dz=DOUBLE slab width (dz)",
47 " --length=DOUBLE maximum length (Defaults to 1/2 smallest length \n of first frame)",
48 " --zlength=DOUBLE maximum length (Defaults to 1/2 smallest length \n of first frame)",
49 " -z, --zoffset=DOUBLE Where to set the zero for the slab_density \n calculation (default=`0')",
50 " --sele1=selection script select the first stuntdouble set",
51 " --sele2=selection script select the second stuntdouble set",
52 " --sele3=selection script select the third stuntdouble set",
53 " --refsele=selection script\n select reference (use and only use with --gxyz)",
54 " --comsele=selection script\n select stunt doubles for center-of-mass \n reference point",
55 " --molname=STRING molecule name",
56 " --begin=INT begin internal index",
57 " --end=INT end internal index",
58 " --radius=DOUBLE nanoparticle radius",
59 "\n Group: staticProps\n an option of this group is required",
60 " --bo bond order parameter (--rcut must be specified)",
61 " --bor bond order parameter as a function of radius \n (--rcut must be specified)",
62 " --bad N(theta) bond angle density within (--rcut must \n be specified)",
63 " --count count of molecules matching selection criteria \n (and associated statistics)",
64 " -g, --gofr g(r)",
65 " --gofz g(z)",
66 " --r_theta g(r, cos(theta))",
67 " --r_omega g(r, cos(omega))",
68 " --r_z g(r, z)",
69 " --theta_omega g(cos(theta), cos(omega))",
70 " --gxyz g(x, y, z)",
71 " --twodgofr 2D g(r) (Slab width --dz must be specified)",
72 " -p, --p2 p2 order parameter (--sele1 must be specified, \n --sele2 is optional)",
73 " --rp2 rp2 order parameter (--sele1 and --sele2 must \n be specified)",
74 " -s, --scd scd order parameter (either --sele1, --sele2, \n --sele3 are specified or --molname, --begin, \n --end are specified)",
75 " -d, --density density plot",
76 " --slab_density slab density",
77 " --p_angle p(cos(theta))",
78 " --hxy hxy",
79 " --rho_r rho of R",
80 " --angle_r angle of R",
81 " --hullvol hull volume of nanoparticle",
82 " --rodlength length of nanorod",
83 " -Q, --tet_param tetrahedrality order parameter",
84 0
85 };
86
87 typedef enum {ARG_NO
88 , ARG_STRING
89 , ARG_INT
90 , ARG_DOUBLE
91 } cmdline_parser_arg_type;
92
93 static
94 void clear_given (struct gengetopt_args_info *args_info);
95 static
96 void clear_args (struct gengetopt_args_info *args_info);
97
98 static int
99 cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info,
100 struct cmdline_parser_params *params, const char *additional_error);
101
102 static int
103 cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error);
104
105 static char *
106 gengetopt_strdup (const char *s);
107
108 static
109 void clear_given (struct gengetopt_args_info *args_info)
110 {
111 args_info->help_given = 0 ;
112 args_info->version_given = 0 ;
113 args_info->input_given = 0 ;
114 args_info->output_given = 0 ;
115 args_info->step_given = 0 ;
116 args_info->nbins_given = 0 ;
117 args_info->nbins_x_given = 0 ;
118 args_info->nbins_y_given = 0 ;
119 args_info->nbins_z_given = 0 ;
120 args_info->nanglebins_given = 0 ;
121 args_info->rcut_given = 0 ;
122 args_info->dz_given = 0 ;
123 args_info->length_given = 0 ;
124 args_info->zlength_given = 0 ;
125 args_info->zoffset_given = 0 ;
126 args_info->sele1_given = 0 ;
127 args_info->sele2_given = 0 ;
128 args_info->sele3_given = 0 ;
129 args_info->refsele_given = 0 ;
130 args_info->comsele_given = 0 ;
131 args_info->molname_given = 0 ;
132 args_info->begin_given = 0 ;
133 args_info->end_given = 0 ;
134 args_info->radius_given = 0 ;
135 args_info->bo_given = 0 ;
136 args_info->bor_given = 0 ;
137 args_info->bad_given = 0 ;
138 args_info->count_given = 0 ;
139 args_info->gofr_given = 0 ;
140 args_info->gofz_given = 0 ;
141 args_info->r_theta_given = 0 ;
142 args_info->r_omega_given = 0 ;
143 args_info->r_z_given = 0 ;
144 args_info->theta_omega_given = 0 ;
145 args_info->gxyz_given = 0 ;
146 args_info->twodgofr_given = 0 ;
147 args_info->p2_given = 0 ;
148 args_info->rp2_given = 0 ;
149 args_info->scd_given = 0 ;
150 args_info->density_given = 0 ;
151 args_info->slab_density_given = 0 ;
152 args_info->p_angle_given = 0 ;
153 args_info->hxy_given = 0 ;
154 args_info->rho_r_given = 0 ;
155 args_info->angle_r_given = 0 ;
156 args_info->hullvol_given = 0 ;
157 args_info->rodlength_given = 0 ;
158 args_info->tet_param_given = 0 ;
159 args_info->staticProps_group_counter = 0 ;
160 }
161
162 static
163 void clear_args (struct gengetopt_args_info *args_info)
164 {
165 FIX_UNUSED (args_info);
166 args_info->input_arg = NULL;
167 args_info->input_orig = NULL;
168 args_info->output_arg = NULL;
169 args_info->output_orig = NULL;
170 args_info->step_arg = 1;
171 args_info->step_orig = NULL;
172 args_info->nbins_arg = 100;
173 args_info->nbins_orig = NULL;
174 args_info->nbins_x_arg = 100;
175 args_info->nbins_x_orig = NULL;
176 args_info->nbins_y_arg = 100;
177 args_info->nbins_y_orig = NULL;
178 args_info->nbins_z_arg = 100;
179 args_info->nbins_z_orig = NULL;
180 args_info->nanglebins_arg = 50;
181 args_info->nanglebins_orig = NULL;
182 args_info->rcut_orig = NULL;
183 args_info->dz_orig = NULL;
184 args_info->length_orig = NULL;
185 args_info->zlength_orig = NULL;
186 args_info->zoffset_arg = 0;
187 args_info->zoffset_orig = NULL;
188 args_info->sele1_arg = NULL;
189 args_info->sele1_orig = NULL;
190 args_info->sele2_arg = NULL;
191 args_info->sele2_orig = NULL;
192 args_info->sele3_arg = NULL;
193 args_info->sele3_orig = NULL;
194 args_info->refsele_arg = NULL;
195 args_info->refsele_orig = NULL;
196 args_info->comsele_arg = NULL;
197 args_info->comsele_orig = NULL;
198 args_info->molname_arg = NULL;
199 args_info->molname_orig = NULL;
200 args_info->begin_orig = NULL;
201 args_info->end_orig = NULL;
202 args_info->radius_orig = NULL;
203
204 }
205
206 static
207 void init_args_info(struct gengetopt_args_info *args_info)
208 {
209
210
211 args_info->help_help = gengetopt_args_info_help[0] ;
212 args_info->version_help = gengetopt_args_info_help[1] ;
213 args_info->input_help = gengetopt_args_info_help[2] ;
214 args_info->output_help = gengetopt_args_info_help[3] ;
215 args_info->step_help = gengetopt_args_info_help[4] ;
216 args_info->nbins_help = gengetopt_args_info_help[5] ;
217 args_info->nbins_x_help = gengetopt_args_info_help[6] ;
218 args_info->nbins_y_help = gengetopt_args_info_help[7] ;
219 args_info->nbins_z_help = gengetopt_args_info_help[8] ;
220 args_info->nanglebins_help = gengetopt_args_info_help[9] ;
221 args_info->rcut_help = gengetopt_args_info_help[10] ;
222 args_info->dz_help = gengetopt_args_info_help[11] ;
223 args_info->length_help = gengetopt_args_info_help[12] ;
224 args_info->zlength_help = gengetopt_args_info_help[13] ;
225 args_info->zoffset_help = gengetopt_args_info_help[14] ;
226 args_info->sele1_help = gengetopt_args_info_help[15] ;
227 args_info->sele2_help = gengetopt_args_info_help[16] ;
228 args_info->sele3_help = gengetopt_args_info_help[17] ;
229 args_info->refsele_help = gengetopt_args_info_help[18] ;
230 args_info->comsele_help = gengetopt_args_info_help[19] ;
231 args_info->molname_help = gengetopt_args_info_help[20] ;
232 args_info->begin_help = gengetopt_args_info_help[21] ;
233 args_info->end_help = gengetopt_args_info_help[22] ;
234 args_info->radius_help = gengetopt_args_info_help[23] ;
235 args_info->bo_help = gengetopt_args_info_help[25] ;
236 args_info->bor_help = gengetopt_args_info_help[26] ;
237 args_info->bad_help = gengetopt_args_info_help[27] ;
238 args_info->count_help = gengetopt_args_info_help[28] ;
239 args_info->gofr_help = gengetopt_args_info_help[29] ;
240 args_info->gofz_help = gengetopt_args_info_help[30] ;
241 args_info->r_theta_help = gengetopt_args_info_help[31] ;
242 args_info->r_omega_help = gengetopt_args_info_help[32] ;
243 args_info->r_z_help = gengetopt_args_info_help[33] ;
244 args_info->theta_omega_help = gengetopt_args_info_help[34] ;
245 args_info->gxyz_help = gengetopt_args_info_help[35] ;
246 args_info->twodgofr_help = gengetopt_args_info_help[36] ;
247 args_info->p2_help = gengetopt_args_info_help[37] ;
248 args_info->rp2_help = gengetopt_args_info_help[38] ;
249 args_info->scd_help = gengetopt_args_info_help[39] ;
250 args_info->density_help = gengetopt_args_info_help[40] ;
251 args_info->slab_density_help = gengetopt_args_info_help[41] ;
252 args_info->p_angle_help = gengetopt_args_info_help[42] ;
253 args_info->hxy_help = gengetopt_args_info_help[43] ;
254 args_info->rho_r_help = gengetopt_args_info_help[44] ;
255 args_info->angle_r_help = gengetopt_args_info_help[45] ;
256 args_info->hullvol_help = gengetopt_args_info_help[46] ;
257 args_info->rodlength_help = gengetopt_args_info_help[47] ;
258 args_info->tet_param_help = gengetopt_args_info_help[48] ;
259
260 }
261
262 void
263 cmdline_parser_print_version (void)
264 {
265 printf ("%s %s\n",
266 (strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
267 CMDLINE_PARSER_VERSION);
268 }
269
270 static void print_help_common(void) {
271 cmdline_parser_print_version ();
272
273 if (strlen(gengetopt_args_info_purpose) > 0)
274 printf("\n%s\n", gengetopt_args_info_purpose);
275
276 if (strlen(gengetopt_args_info_usage) > 0)
277 printf("\n%s\n", gengetopt_args_info_usage);
278
279 printf("\n");
280
281 if (strlen(gengetopt_args_info_description) > 0)
282 printf("%s\n\n", gengetopt_args_info_description);
283 }
284
285 void
286 cmdline_parser_print_help (void)
287 {
288 int i = 0;
289 print_help_common();
290 while (gengetopt_args_info_help[i])
291 printf("%s\n", gengetopt_args_info_help[i++]);
292 }
293
294 void
295 cmdline_parser_init (struct gengetopt_args_info *args_info)
296 {
297 clear_given (args_info);
298 clear_args (args_info);
299 init_args_info (args_info);
300
301 args_info->inputs = 0;
302 args_info->inputs_num = 0;
303 }
304
305 void
306 cmdline_parser_params_init(struct cmdline_parser_params *params)
307 {
308 if (params)
309 {
310 params->override = 0;
311 params->initialize = 1;
312 params->check_required = 1;
313 params->check_ambiguity = 0;
314 params->print_errors = 1;
315 }
316 }
317
318 struct cmdline_parser_params *
319 cmdline_parser_params_create(void)
320 {
321 struct cmdline_parser_params *params =
322 (struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params));
323 cmdline_parser_params_init(params);
324 return params;
325 }
326
327 static void
328 free_string_field (char **s)
329 {
330 if (*s)
331 {
332 free (*s);
333 *s = 0;
334 }
335 }
336
337
338 static void
339 cmdline_parser_release (struct gengetopt_args_info *args_info)
340 {
341 unsigned int i;
342 free_string_field (&(args_info->input_arg));
343 free_string_field (&(args_info->input_orig));
344 free_string_field (&(args_info->output_arg));
345 free_string_field (&(args_info->output_orig));
346 free_string_field (&(args_info->step_orig));
347 free_string_field (&(args_info->nbins_orig));
348 free_string_field (&(args_info->nbins_x_orig));
349 free_string_field (&(args_info->nbins_y_orig));
350 free_string_field (&(args_info->nbins_z_orig));
351 free_string_field (&(args_info->nanglebins_orig));
352 free_string_field (&(args_info->rcut_orig));
353 free_string_field (&(args_info->dz_orig));
354 free_string_field (&(args_info->length_orig));
355 free_string_field (&(args_info->zlength_orig));
356 free_string_field (&(args_info->zoffset_orig));
357 free_string_field (&(args_info->sele1_arg));
358 free_string_field (&(args_info->sele1_orig));
359 free_string_field (&(args_info->sele2_arg));
360 free_string_field (&(args_info->sele2_orig));
361 free_string_field (&(args_info->sele3_arg));
362 free_string_field (&(args_info->sele3_orig));
363 free_string_field (&(args_info->refsele_arg));
364 free_string_field (&(args_info->refsele_orig));
365 free_string_field (&(args_info->comsele_arg));
366 free_string_field (&(args_info->comsele_orig));
367 free_string_field (&(args_info->molname_arg));
368 free_string_field (&(args_info->molname_orig));
369 free_string_field (&(args_info->begin_orig));
370 free_string_field (&(args_info->end_orig));
371 free_string_field (&(args_info->radius_orig));
372
373
374 for (i = 0; i < args_info->inputs_num; ++i)
375 free (args_info->inputs [i]);
376
377 if (args_info->inputs_num)
378 free (args_info->inputs);
379
380 clear_given (args_info);
381 }
382
383
384 static void
385 write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[])
386 {
387 FIX_UNUSED (values);
388 if (arg) {
389 fprintf(outfile, "%s=\"%s\"\n", opt, arg);
390 } else {
391 fprintf(outfile, "%s\n", opt);
392 }
393 }
394
395
396 int
397 cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info)
398 {
399 int i = 0;
400
401 if (!outfile)
402 {
403 fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE);
404 return EXIT_FAILURE;
405 }
406
407 if (args_info->help_given)
408 write_into_file(outfile, "help", 0, 0 );
409 if (args_info->version_given)
410 write_into_file(outfile, "version", 0, 0 );
411 if (args_info->input_given)
412 write_into_file(outfile, "input", args_info->input_orig, 0);
413 if (args_info->output_given)
414 write_into_file(outfile, "output", args_info->output_orig, 0);
415 if (args_info->step_given)
416 write_into_file(outfile, "step", args_info->step_orig, 0);
417 if (args_info->nbins_given)
418 write_into_file(outfile, "nbins", args_info->nbins_orig, 0);
419 if (args_info->nbins_x_given)
420 write_into_file(outfile, "nbins_x", args_info->nbins_x_orig, 0);
421 if (args_info->nbins_y_given)
422 write_into_file(outfile, "nbins_y", args_info->nbins_y_orig, 0);
423 if (args_info->nbins_z_given)
424 write_into_file(outfile, "nbins_z", args_info->nbins_z_orig, 0);
425 if (args_info->nanglebins_given)
426 write_into_file(outfile, "nanglebins", args_info->nanglebins_orig, 0);
427 if (args_info->rcut_given)
428 write_into_file(outfile, "rcut", args_info->rcut_orig, 0);
429 if (args_info->dz_given)
430 write_into_file(outfile, "dz", args_info->dz_orig, 0);
431 if (args_info->length_given)
432 write_into_file(outfile, "length", args_info->length_orig, 0);
433 if (args_info->zlength_given)
434 write_into_file(outfile, "zlength", args_info->zlength_orig, 0);
435 if (args_info->zoffset_given)
436 write_into_file(outfile, "zoffset", args_info->zoffset_orig, 0);
437 if (args_info->sele1_given)
438 write_into_file(outfile, "sele1", args_info->sele1_orig, 0);
439 if (args_info->sele2_given)
440 write_into_file(outfile, "sele2", args_info->sele2_orig, 0);
441 if (args_info->sele3_given)
442 write_into_file(outfile, "sele3", args_info->sele3_orig, 0);
443 if (args_info->refsele_given)
444 write_into_file(outfile, "refsele", args_info->refsele_orig, 0);
445 if (args_info->comsele_given)
446 write_into_file(outfile, "comsele", args_info->comsele_orig, 0);
447 if (args_info->molname_given)
448 write_into_file(outfile, "molname", args_info->molname_orig, 0);
449 if (args_info->begin_given)
450 write_into_file(outfile, "begin", args_info->begin_orig, 0);
451 if (args_info->end_given)
452 write_into_file(outfile, "end", args_info->end_orig, 0);
453 if (args_info->radius_given)
454 write_into_file(outfile, "radius", args_info->radius_orig, 0);
455 if (args_info->bo_given)
456 write_into_file(outfile, "bo", 0, 0 );
457 if (args_info->bor_given)
458 write_into_file(outfile, "bor", 0, 0 );
459 if (args_info->bad_given)
460 write_into_file(outfile, "bad", 0, 0 );
461 if (args_info->count_given)
462 write_into_file(outfile, "count", 0, 0 );
463 if (args_info->gofr_given)
464 write_into_file(outfile, "gofr", 0, 0 );
465 if (args_info->gofz_given)
466 write_into_file(outfile, "gofz", 0, 0 );
467 if (args_info->r_theta_given)
468 write_into_file(outfile, "r_theta", 0, 0 );
469 if (args_info->r_omega_given)
470 write_into_file(outfile, "r_omega", 0, 0 );
471 if (args_info->r_z_given)
472 write_into_file(outfile, "r_z", 0, 0 );
473 if (args_info->theta_omega_given)
474 write_into_file(outfile, "theta_omega", 0, 0 );
475 if (args_info->gxyz_given)
476 write_into_file(outfile, "gxyz", 0, 0 );
477 if (args_info->twodgofr_given)
478 write_into_file(outfile, "twodgofr", 0, 0 );
479 if (args_info->p2_given)
480 write_into_file(outfile, "p2", 0, 0 );
481 if (args_info->rp2_given)
482 write_into_file(outfile, "rp2", 0, 0 );
483 if (args_info->scd_given)
484 write_into_file(outfile, "scd", 0, 0 );
485 if (args_info->density_given)
486 write_into_file(outfile, "density", 0, 0 );
487 if (args_info->slab_density_given)
488 write_into_file(outfile, "slab_density", 0, 0 );
489 if (args_info->p_angle_given)
490 write_into_file(outfile, "p_angle", 0, 0 );
491 if (args_info->hxy_given)
492 write_into_file(outfile, "hxy", 0, 0 );
493 if (args_info->rho_r_given)
494 write_into_file(outfile, "rho_r", 0, 0 );
495 if (args_info->angle_r_given)
496 write_into_file(outfile, "angle_r", 0, 0 );
497 if (args_info->hullvol_given)
498 write_into_file(outfile, "hullvol", 0, 0 );
499 if (args_info->rodlength_given)
500 write_into_file(outfile, "rodlength", 0, 0 );
501 if (args_info->tet_param_given)
502 write_into_file(outfile, "tet_param", 0, 0 );
503
504
505 i = EXIT_SUCCESS;
506 return i;
507 }
508
509 int
510 cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info)
511 {
512 FILE *outfile;
513 int i = 0;
514
515 outfile = fopen(filename, "w");
516
517 if (!outfile)
518 {
519 fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename);
520 return EXIT_FAILURE;
521 }
522
523 i = cmdline_parser_dump(outfile, args_info);
524 fclose (outfile);
525
526 return i;
527 }
528
529 void
530 cmdline_parser_free (struct gengetopt_args_info *args_info)
531 {
532 cmdline_parser_release (args_info);
533 }
534
535 /** @brief replacement of strdup, which is not standard */
536 char *
537 gengetopt_strdup (const char *s)
538 {
539 char *result = 0;
540 if (!s)
541 return result;
542
543 result = (char*)malloc(strlen(s) + 1);
544 if (result == (char*)0)
545 return (char*)0;
546 strcpy(result, s);
547 return result;
548 }
549
550 static void
551 reset_group_staticProps(struct gengetopt_args_info *args_info)
552 {
553 if (! args_info->staticProps_group_counter)
554 return;
555
556 args_info->bo_given = 0 ;
557 args_info->bor_given = 0 ;
558 args_info->bad_given = 0 ;
559 args_info->count_given = 0 ;
560 args_info->gofr_given = 0 ;
561 args_info->gofz_given = 0 ;
562 args_info->r_theta_given = 0 ;
563 args_info->r_omega_given = 0 ;
564 args_info->r_z_given = 0 ;
565 args_info->theta_omega_given = 0 ;
566 args_info->gxyz_given = 0 ;
567 args_info->twodgofr_given = 0 ;
568 args_info->p2_given = 0 ;
569 args_info->rp2_given = 0 ;
570 args_info->scd_given = 0 ;
571 args_info->density_given = 0 ;
572 args_info->slab_density_given = 0 ;
573 args_info->p_angle_given = 0 ;
574 args_info->hxy_given = 0 ;
575 args_info->rho_r_given = 0 ;
576 args_info->angle_r_given = 0 ;
577 args_info->hullvol_given = 0 ;
578 args_info->rodlength_given = 0 ;
579 args_info->tet_param_given = 0 ;
580
581 args_info->staticProps_group_counter = 0;
582 }
583
584 int
585 cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info)
586 {
587 return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
588 }
589
590 int
591 cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info,
592 struct cmdline_parser_params *params)
593 {
594 int result;
595 result = cmdline_parser_internal (argc, argv, args_info, params, 0);
596
597 if (result == EXIT_FAILURE)
598 {
599 cmdline_parser_free (args_info);
600 exit (EXIT_FAILURE);
601 }
602
603 return result;
604 }
605
606 int
607 cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
608 {
609 int result;
610 struct cmdline_parser_params params;
611
612 params.override = override;
613 params.initialize = initialize;
614 params.check_required = check_required;
615 params.check_ambiguity = 0;
616 params.print_errors = 1;
617
618 result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
619
620 if (result == EXIT_FAILURE)
621 {
622 cmdline_parser_free (args_info);
623 exit (EXIT_FAILURE);
624 }
625
626 return result;
627 }
628
629 int
630 cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name)
631 {
632 int result = EXIT_SUCCESS;
633
634 if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
635 result = EXIT_FAILURE;
636
637 if (result == EXIT_FAILURE)
638 {
639 cmdline_parser_free (args_info);
640 exit (EXIT_FAILURE);
641 }
642
643 return result;
644 }
645
646 int
647 cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
648 {
649 int error = 0;
650 FIX_UNUSED (additional_error);
651
652 /* checks for required options */
653 if (! args_info->input_given)
654 {
655 fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : ""));
656 error = 1;
657 }
658
659 if (args_info->staticProps_group_counter == 0)
660 {
661 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 : ""));
662 error = 1;
663 }
664
665
666 /* checks for dependences among options */
667
668 return error;
669 }
670
671
672 static char *package_name = 0;
673
674 /**
675 * @brief updates an option
676 * @param field the generic pointer to the field to update
677 * @param orig_field the pointer to the orig field
678 * @param field_given the pointer to the number of occurrence of this option
679 * @param prev_given the pointer to the number of occurrence already seen
680 * @param value the argument for this option (if null no arg was specified)
681 * @param possible_values the possible values for this option (if specified)
682 * @param default_value the default value (in case the option only accepts fixed values)
683 * @param arg_type the type of this option
684 * @param check_ambiguity @see cmdline_parser_params.check_ambiguity
685 * @param override @see cmdline_parser_params.override
686 * @param no_free whether to free a possible previous value
687 * @param multiple_option whether this is a multiple option
688 * @param long_opt the corresponding long option
689 * @param short_opt the corresponding short option (or '-' if none)
690 * @param additional_error possible further error specification
691 */
692 static
693 int update_arg(void *field, char **orig_field,
694 unsigned int *field_given, unsigned int *prev_given,
695 char *value, const char *possible_values[],
696 const char *default_value,
697 cmdline_parser_arg_type arg_type,
698 int check_ambiguity, int override,
699 int no_free, int multiple_option,
700 const char *long_opt, char short_opt,
701 const char *additional_error)
702 {
703 char *stop_char = 0;
704 const char *val = value;
705 int found;
706 char **string_field;
707 FIX_UNUSED (field);
708
709 stop_char = 0;
710 found = 0;
711
712 if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given)))
713 {
714 if (short_opt != '-')
715 fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n",
716 package_name, long_opt, short_opt,
717 (additional_error ? additional_error : ""));
718 else
719 fprintf (stderr, "%s: `--%s' option given more than once%s\n",
720 package_name, long_opt,
721 (additional_error ? additional_error : ""));
722 return 1; /* failure */
723 }
724
725 FIX_UNUSED (default_value);
726
727 if (field_given && *field_given && ! override)
728 return 0;
729 if (prev_given)
730 (*prev_given)++;
731 if (field_given)
732 (*field_given)++;
733 if (possible_values)
734 val = possible_values[found];
735
736 switch(arg_type) {
737 case ARG_INT:
738 if (val) *((int *)field) = strtol (val, &stop_char, 0);
739 break;
740 case ARG_DOUBLE:
741 if (val) *((double *)field) = strtod (val, &stop_char);
742 break;
743 case ARG_STRING:
744 if (val) {
745 string_field = (char **)field;
746 if (!no_free && *string_field)
747 free (*string_field); /* free previous string */
748 *string_field = gengetopt_strdup (val);
749 }
750 break;
751 default:
752 break;
753 };
754
755 /* check numeric conversion */
756 switch(arg_type) {
757 case ARG_INT:
758 case ARG_DOUBLE:
759 if (val && !(stop_char && *stop_char == '\0')) {
760 fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val);
761 return 1; /* failure */
762 }
763 break;
764 default:
765 ;
766 };
767
768 /* store the original value */
769 switch(arg_type) {
770 case ARG_NO:
771 break;
772 default:
773 if (value && orig_field) {
774 if (no_free) {
775 *orig_field = value;
776 } else {
777 if (*orig_field)
778 free (*orig_field); /* free previous string */
779 *orig_field = gengetopt_strdup (value);
780 }
781 }
782 };
783
784 return 0; /* OK */
785 }
786
787
788 int
789 cmdline_parser_internal (
790 int argc, char **argv, struct gengetopt_args_info *args_info,
791 struct cmdline_parser_params *params, const char *additional_error)
792 {
793 int c; /* Character of the parsed option. */
794
795 int error = 0;
796 struct gengetopt_args_info local_args_info;
797
798 int override;
799 int initialize;
800 int check_required;
801 int check_ambiguity;
802
803 package_name = argv[0];
804
805 override = params->override;
806 initialize = params->initialize;
807 check_required = params->check_required;
808 check_ambiguity = params->check_ambiguity;
809
810 if (initialize)
811 cmdline_parser_init (args_info);
812
813 cmdline_parser_init (&local_args_info);
814
815 optarg = 0;
816 optind = 0;
817 opterr = params->print_errors;
818 optopt = '?';
819
820 while (1)
821 {
822 int option_index = 0;
823
824 static struct option long_options[] = {
825 { "help", 0, NULL, 'h' },
826 { "version", 0, NULL, 'V' },
827 { "input", 1, NULL, 'i' },
828 { "output", 1, NULL, 'o' },
829 { "step", 1, NULL, 'n' },
830 { "nbins", 1, NULL, 'b' },
831 { "nbins_x", 1, NULL, 'x' },
832 { "nbins_y", 1, NULL, 'y' },
833 { "nbins_z", 1, NULL, 0 },
834 { "nanglebins", 1, NULL, 'a' },
835 { "rcut", 1, NULL, 'c' },
836 { "dz", 1, NULL, 0 },
837 { "length", 1, NULL, 0 },
838 { "zlength", 1, NULL, 0 },
839 { "zoffset", 1, NULL, 'z' },
840 { "sele1", 1, NULL, 0 },
841 { "sele2", 1, NULL, 0 },
842 { "sele3", 1, NULL, 0 },
843 { "refsele", 1, NULL, 0 },
844 { "comsele", 1, NULL, 0 },
845 { "molname", 1, NULL, 0 },
846 { "begin", 1, NULL, 0 },
847 { "end", 1, NULL, 0 },
848 { "radius", 1, NULL, 0 },
849 { "bo", 0, NULL, 0 },
850 { "bor", 0, NULL, 0 },
851 { "bad", 0, NULL, 0 },
852 { "count", 0, NULL, 0 },
853 { "gofr", 0, NULL, 'g' },
854 { "gofz", 0, NULL, 0 },
855 { "r_theta", 0, NULL, 0 },
856 { "r_omega", 0, NULL, 0 },
857 { "r_z", 0, NULL, 0 },
858 { "theta_omega", 0, NULL, 0 },
859 { "gxyz", 0, NULL, 0 },
860 { "twodgofr", 0, NULL, 0 },
861 { "p2", 0, NULL, 'p' },
862 { "rp2", 0, NULL, 0 },
863 { "scd", 0, NULL, 's' },
864 { "density", 0, NULL, 'd' },
865 { "slab_density", 0, NULL, 0 },
866 { "p_angle", 0, NULL, 0 },
867 { "hxy", 0, NULL, 0 },
868 { "rho_r", 0, NULL, 0 },
869 { "angle_r", 0, NULL, 0 },
870 { "hullvol", 0, NULL, 0 },
871 { "rodlength", 0, NULL, 0 },
872 { "tet_param", 0, NULL, 'Q' },
873 { 0, 0, 0, 0 }
874 };
875
876 c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsdQ", long_options, &option_index);
877
878 if (c == -1) break; /* Exit from `while (1)' loop. */
879
880 switch (c)
881 {
882 case 'h': /* Print help and exit. */
883 cmdline_parser_print_help ();
884 cmdline_parser_free (&local_args_info);
885 exit (EXIT_SUCCESS);
886
887 case 'V': /* Print version and exit. */
888 cmdline_parser_print_version ();
889 cmdline_parser_free (&local_args_info);
890 exit (EXIT_SUCCESS);
891
892 case 'i': /* input dump file. */
893
894
895 if (update_arg( (void *)&(args_info->input_arg),
896 &(args_info->input_orig), &(args_info->input_given),
897 &(local_args_info.input_given), optarg, 0, 0, ARG_STRING,
898 check_ambiguity, override, 0, 0,
899 "input", 'i',
900 additional_error))
901 goto failure;
902
903 break;
904 case 'o': /* output file name. */
905
906
907 if (update_arg( (void *)&(args_info->output_arg),
908 &(args_info->output_orig), &(args_info->output_given),
909 &(local_args_info.output_given), optarg, 0, 0, ARG_STRING,
910 check_ambiguity, override, 0, 0,
911 "output", 'o',
912 additional_error))
913 goto failure;
914
915 break;
916 case 'n': /* process every n frame. */
917
918
919 if (update_arg( (void *)&(args_info->step_arg),
920 &(args_info->step_orig), &(args_info->step_given),
921 &(local_args_info.step_given), optarg, 0, "1", ARG_INT,
922 check_ambiguity, override, 0, 0,
923 "step", 'n',
924 additional_error))
925 goto failure;
926
927 break;
928 case 'b': /* number of bins (general purpose). */
929
930
931 if (update_arg( (void *)&(args_info->nbins_arg),
932 &(args_info->nbins_orig), &(args_info->nbins_given),
933 &(local_args_info.nbins_given), optarg, 0, "100", ARG_INT,
934 check_ambiguity, override, 0, 0,
935 "nbins", 'b',
936 additional_error))
937 goto failure;
938
939 break;
940 case 'x': /* number of bins in x axis. */
941
942
943 if (update_arg( (void *)&(args_info->nbins_x_arg),
944 &(args_info->nbins_x_orig), &(args_info->nbins_x_given),
945 &(local_args_info.nbins_x_given), optarg, 0, "100", ARG_INT,
946 check_ambiguity, override, 0, 0,
947 "nbins_x", 'x',
948 additional_error))
949 goto failure;
950
951 break;
952 case 'y': /* number of bins in y axis. */
953
954
955 if (update_arg( (void *)&(args_info->nbins_y_arg),
956 &(args_info->nbins_y_orig), &(args_info->nbins_y_given),
957 &(local_args_info.nbins_y_given), optarg, 0, "100", ARG_INT,
958 check_ambiguity, override, 0, 0,
959 "nbins_y", 'y',
960 additional_error))
961 goto failure;
962
963 break;
964 case 'a': /* number of bins for cos(angle). */
965
966
967 if (update_arg( (void *)&(args_info->nanglebins_arg),
968 &(args_info->nanglebins_orig), &(args_info->nanglebins_given),
969 &(local_args_info.nanglebins_given), optarg, 0, "50", ARG_INT,
970 check_ambiguity, override, 0, 0,
971 "nanglebins", 'a',
972 additional_error))
973 goto failure;
974
975 break;
976 case 'c': /* cutoff radius (rcut). */
977
978
979 if (update_arg( (void *)&(args_info->rcut_arg),
980 &(args_info->rcut_orig), &(args_info->rcut_given),
981 &(local_args_info.rcut_given), optarg, 0, 0, ARG_DOUBLE,
982 check_ambiguity, override, 0, 0,
983 "rcut", 'c',
984 additional_error))
985 goto failure;
986
987 break;
988 case 'z': /* Where to set the zero for the slab_density calculation. */
989
990
991 if (update_arg( (void *)&(args_info->zoffset_arg),
992 &(args_info->zoffset_orig), &(args_info->zoffset_given),
993 &(local_args_info.zoffset_given), optarg, 0, "0", ARG_DOUBLE,
994 check_ambiguity, override, 0, 0,
995 "zoffset", 'z',
996 additional_error))
997 goto failure;
998
999 break;
1000 case 'g': /* g(r). */
1001
1002 if (args_info->staticProps_group_counter && override)
1003 reset_group_staticProps (args_info);
1004 args_info->staticProps_group_counter += 1;
1005
1006 if (update_arg( 0 ,
1007 0 , &(args_info->gofr_given),
1008 &(local_args_info.gofr_given), optarg, 0, 0, ARG_NO,
1009 check_ambiguity, override, 0, 0,
1010 "gofr", 'g',
1011 additional_error))
1012 goto failure;
1013
1014 break;
1015 case 'p': /* p2 order parameter (--sele1 must be specified, --sele2 is optional). */
1016
1017 if (args_info->staticProps_group_counter && override)
1018 reset_group_staticProps (args_info);
1019 args_info->staticProps_group_counter += 1;
1020
1021 if (update_arg( 0 ,
1022 0 , &(args_info->p2_given),
1023 &(local_args_info.p2_given), optarg, 0, 0, ARG_NO,
1024 check_ambiguity, override, 0, 0,
1025 "p2", 'p',
1026 additional_error))
1027 goto failure;
1028
1029 break;
1030 case 's': /* scd order parameter (either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified). */
1031
1032 if (args_info->staticProps_group_counter && override)
1033 reset_group_staticProps (args_info);
1034 args_info->staticProps_group_counter += 1;
1035
1036 if (update_arg( 0 ,
1037 0 , &(args_info->scd_given),
1038 &(local_args_info.scd_given), optarg, 0, 0, ARG_NO,
1039 check_ambiguity, override, 0, 0,
1040 "scd", 's',
1041 additional_error))
1042 goto failure;
1043
1044 break;
1045 case 'd': /* density plot. */
1046
1047 if (args_info->staticProps_group_counter && override)
1048 reset_group_staticProps (args_info);
1049 args_info->staticProps_group_counter += 1;
1050
1051 if (update_arg( 0 ,
1052 0 , &(args_info->density_given),
1053 &(local_args_info.density_given), optarg, 0, 0, ARG_NO,
1054 check_ambiguity, override, 0, 0,
1055 "density", 'd',
1056 additional_error))
1057 goto failure;
1058
1059 break;
1060 case 'Q': /* tetrahedrality order parameter. */
1061
1062 if (args_info->staticProps_group_counter && override)
1063 reset_group_staticProps (args_info);
1064 args_info->staticProps_group_counter += 1;
1065
1066 if (update_arg( 0 ,
1067 0 , &(args_info->tet_param_given),
1068 &(local_args_info.tet_param_given), optarg, 0, 0, ARG_NO,
1069 check_ambiguity, override, 0, 0,
1070 "tet_param", 'Q',
1071 additional_error))
1072 goto failure;
1073
1074 break;
1075
1076 case 0: /* Long option with no short option */
1077 /* number of bins in z axis. */
1078 if (strcmp (long_options[option_index].name, "nbins_z") == 0)
1079 {
1080
1081
1082 if (update_arg( (void *)&(args_info->nbins_z_arg),
1083 &(args_info->nbins_z_orig), &(args_info->nbins_z_given),
1084 &(local_args_info.nbins_z_given), optarg, 0, "100", ARG_INT,
1085 check_ambiguity, override, 0, 0,
1086 "nbins_z", '-',
1087 additional_error))
1088 goto failure;
1089
1090 }
1091 /* slab width (dz). */
1092 else if (strcmp (long_options[option_index].name, "dz") == 0)
1093 {
1094
1095
1096 if (update_arg( (void *)&(args_info->dz_arg),
1097 &(args_info->dz_orig), &(args_info->dz_given),
1098 &(local_args_info.dz_given), optarg, 0, 0, ARG_DOUBLE,
1099 check_ambiguity, override, 0, 0,
1100 "dz", '-',
1101 additional_error))
1102 goto failure;
1103
1104 }
1105 /* maximum length (Defaults to 1/2 smallest length of first frame). */
1106 else if (strcmp (long_options[option_index].name, "length") == 0)
1107 {
1108
1109
1110 if (update_arg( (void *)&(args_info->length_arg),
1111 &(args_info->length_orig), &(args_info->length_given),
1112 &(local_args_info.length_given), optarg, 0, 0, ARG_DOUBLE,
1113 check_ambiguity, override, 0, 0,
1114 "length", '-',
1115 additional_error))
1116 goto failure;
1117
1118 }
1119 /* maximum length (Defaults to 1/2 smallest length of first frame). */
1120 else if (strcmp (long_options[option_index].name, "zlength") == 0)
1121 {
1122
1123
1124 if (update_arg( (void *)&(args_info->zlength_arg),
1125 &(args_info->zlength_orig), &(args_info->zlength_given),
1126 &(local_args_info.zlength_given), optarg, 0, 0, ARG_DOUBLE,
1127 check_ambiguity, override, 0, 0,
1128 "zlength", '-',
1129 additional_error))
1130 goto failure;
1131
1132 }
1133 /* select the first stuntdouble set. */
1134 else if (strcmp (long_options[option_index].name, "sele1") == 0)
1135 {
1136
1137
1138 if (update_arg( (void *)&(args_info->sele1_arg),
1139 &(args_info->sele1_orig), &(args_info->sele1_given),
1140 &(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING,
1141 check_ambiguity, override, 0, 0,
1142 "sele1", '-',
1143 additional_error))
1144 goto failure;
1145
1146 }
1147 /* select the second stuntdouble set. */
1148 else if (strcmp (long_options[option_index].name, "sele2") == 0)
1149 {
1150
1151
1152 if (update_arg( (void *)&(args_info->sele2_arg),
1153 &(args_info->sele2_orig), &(args_info->sele2_given),
1154 &(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING,
1155 check_ambiguity, override, 0, 0,
1156 "sele2", '-',
1157 additional_error))
1158 goto failure;
1159
1160 }
1161 /* select the third stuntdouble set. */
1162 else if (strcmp (long_options[option_index].name, "sele3") == 0)
1163 {
1164
1165
1166 if (update_arg( (void *)&(args_info->sele3_arg),
1167 &(args_info->sele3_orig), &(args_info->sele3_given),
1168 &(local_args_info.sele3_given), optarg, 0, 0, ARG_STRING,
1169 check_ambiguity, override, 0, 0,
1170 "sele3", '-',
1171 additional_error))
1172 goto failure;
1173
1174 }
1175 /* select reference (use and only use with --gxyz). */
1176 else if (strcmp (long_options[option_index].name, "refsele") == 0)
1177 {
1178
1179
1180 if (update_arg( (void *)&(args_info->refsele_arg),
1181 &(args_info->refsele_orig), &(args_info->refsele_given),
1182 &(local_args_info.refsele_given), optarg, 0, 0, ARG_STRING,
1183 check_ambiguity, override, 0, 0,
1184 "refsele", '-',
1185 additional_error))
1186 goto failure;
1187
1188 }
1189 /* select stunt doubles for center-of-mass reference point. */
1190 else if (strcmp (long_options[option_index].name, "comsele") == 0)
1191 {
1192
1193
1194 if (update_arg( (void *)&(args_info->comsele_arg),
1195 &(args_info->comsele_orig), &(args_info->comsele_given),
1196 &(local_args_info.comsele_given), optarg, 0, 0, ARG_STRING,
1197 check_ambiguity, override, 0, 0,
1198 "comsele", '-',
1199 additional_error))
1200 goto failure;
1201
1202 }
1203 /* molecule name. */
1204 else if (strcmp (long_options[option_index].name, "molname") == 0)
1205 {
1206
1207
1208 if (update_arg( (void *)&(args_info->molname_arg),
1209 &(args_info->molname_orig), &(args_info->molname_given),
1210 &(local_args_info.molname_given), optarg, 0, 0, ARG_STRING,
1211 check_ambiguity, override, 0, 0,
1212 "molname", '-',
1213 additional_error))
1214 goto failure;
1215
1216 }
1217 /* begin internal index. */
1218 else if (strcmp (long_options[option_index].name, "begin") == 0)
1219 {
1220
1221
1222 if (update_arg( (void *)&(args_info->begin_arg),
1223 &(args_info->begin_orig), &(args_info->begin_given),
1224 &(local_args_info.begin_given), optarg, 0, 0, ARG_INT,
1225 check_ambiguity, override, 0, 0,
1226 "begin", '-',
1227 additional_error))
1228 goto failure;
1229
1230 }
1231 /* end internal index. */
1232 else if (strcmp (long_options[option_index].name, "end") == 0)
1233 {
1234
1235
1236 if (update_arg( (void *)&(args_info->end_arg),
1237 &(args_info->end_orig), &(args_info->end_given),
1238 &(local_args_info.end_given), optarg, 0, 0, ARG_INT,
1239 check_ambiguity, override, 0, 0,
1240 "end", '-',
1241 additional_error))
1242 goto failure;
1243
1244 }
1245 /* nanoparticle radius. */
1246 else if (strcmp (long_options[option_index].name, "radius") == 0)
1247 {
1248
1249
1250 if (update_arg( (void *)&(args_info->radius_arg),
1251 &(args_info->radius_orig), &(args_info->radius_given),
1252 &(local_args_info.radius_given), optarg, 0, 0, ARG_DOUBLE,
1253 check_ambiguity, override, 0, 0,
1254 "radius", '-',
1255 additional_error))
1256 goto failure;
1257
1258 }
1259 /* bond order parameter (--rcut must be specified). */
1260 else if (strcmp (long_options[option_index].name, "bo") == 0)
1261 {
1262
1263 if (args_info->staticProps_group_counter && override)
1264 reset_group_staticProps (args_info);
1265 args_info->staticProps_group_counter += 1;
1266
1267 if (update_arg( 0 ,
1268 0 , &(args_info->bo_given),
1269 &(local_args_info.bo_given), optarg, 0, 0, ARG_NO,
1270 check_ambiguity, override, 0, 0,
1271 "bo", '-',
1272 additional_error))
1273 goto failure;
1274
1275 }
1276 /* bond order parameter as a function of radius (--rcut must be specified). */
1277 else if (strcmp (long_options[option_index].name, "bor") == 0)
1278 {
1279
1280 if (args_info->staticProps_group_counter && override)
1281 reset_group_staticProps (args_info);
1282 args_info->staticProps_group_counter += 1;
1283
1284 if (update_arg( 0 ,
1285 0 , &(args_info->bor_given),
1286 &(local_args_info.bor_given), optarg, 0, 0, ARG_NO,
1287 check_ambiguity, override, 0, 0,
1288 "bor", '-',
1289 additional_error))
1290 goto failure;
1291
1292 }
1293 /* N(theta) bond angle density within (--rcut must be specified). */
1294 else if (strcmp (long_options[option_index].name, "bad") == 0)
1295 {
1296
1297 if (args_info->staticProps_group_counter && override)
1298 reset_group_staticProps (args_info);
1299 args_info->staticProps_group_counter += 1;
1300
1301 if (update_arg( 0 ,
1302 0 , &(args_info->bad_given),
1303 &(local_args_info.bad_given), optarg, 0, 0, ARG_NO,
1304 check_ambiguity, override, 0, 0,
1305 "bad", '-',
1306 additional_error))
1307 goto failure;
1308
1309 }
1310 /* count of molecules matching selection criteria (and associated statistics). */
1311 else if (strcmp (long_options[option_index].name, "count") == 0)
1312 {
1313
1314 if (args_info->staticProps_group_counter && override)
1315 reset_group_staticProps (args_info);
1316 args_info->staticProps_group_counter += 1;
1317
1318 if (update_arg( 0 ,
1319 0 , &(args_info->count_given),
1320 &(local_args_info.count_given), optarg, 0, 0, ARG_NO,
1321 check_ambiguity, override, 0, 0,
1322 "count", '-',
1323 additional_error))
1324 goto failure;
1325
1326 }
1327 /* g(z). */
1328 else if (strcmp (long_options[option_index].name, "gofz") == 0)
1329 {
1330
1331 if (args_info->staticProps_group_counter && override)
1332 reset_group_staticProps (args_info);
1333 args_info->staticProps_group_counter += 1;
1334
1335 if (update_arg( 0 ,
1336 0 , &(args_info->gofz_given),
1337 &(local_args_info.gofz_given), optarg, 0, 0, ARG_NO,
1338 check_ambiguity, override, 0, 0,
1339 "gofz", '-',
1340 additional_error))
1341 goto failure;
1342
1343 }
1344 /* g(r, cos(theta)). */
1345 else if (strcmp (long_options[option_index].name, "r_theta") == 0)
1346 {
1347
1348 if (args_info->staticProps_group_counter && override)
1349 reset_group_staticProps (args_info);
1350 args_info->staticProps_group_counter += 1;
1351
1352 if (update_arg( 0 ,
1353 0 , &(args_info->r_theta_given),
1354 &(local_args_info.r_theta_given), optarg, 0, 0, ARG_NO,
1355 check_ambiguity, override, 0, 0,
1356 "r_theta", '-',
1357 additional_error))
1358 goto failure;
1359
1360 }
1361 /* g(r, cos(omega)). */
1362 else if (strcmp (long_options[option_index].name, "r_omega") == 0)
1363 {
1364
1365 if (args_info->staticProps_group_counter && override)
1366 reset_group_staticProps (args_info);
1367 args_info->staticProps_group_counter += 1;
1368
1369 if (update_arg( 0 ,
1370 0 , &(args_info->r_omega_given),
1371 &(local_args_info.r_omega_given), optarg, 0, 0, ARG_NO,
1372 check_ambiguity, override, 0, 0,
1373 "r_omega", '-',
1374 additional_error))
1375 goto failure;
1376
1377 }
1378 /* g(r, z). */
1379 else if (strcmp (long_options[option_index].name, "r_z") == 0)
1380 {
1381
1382 if (args_info->staticProps_group_counter && override)
1383 reset_group_staticProps (args_info);
1384 args_info->staticProps_group_counter += 1;
1385
1386 if (update_arg( 0 ,
1387 0 , &(args_info->r_z_given),
1388 &(local_args_info.r_z_given), optarg, 0, 0, ARG_NO,
1389 check_ambiguity, override, 0, 0,
1390 "r_z", '-',
1391 additional_error))
1392 goto failure;
1393
1394 }
1395 /* g(cos(theta), cos(omega)). */
1396 else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
1397 {
1398
1399 if (args_info->staticProps_group_counter && override)
1400 reset_group_staticProps (args_info);
1401 args_info->staticProps_group_counter += 1;
1402
1403 if (update_arg( 0 ,
1404 0 , &(args_info->theta_omega_given),
1405 &(local_args_info.theta_omega_given), optarg, 0, 0, ARG_NO,
1406 check_ambiguity, override, 0, 0,
1407 "theta_omega", '-',
1408 additional_error))
1409 goto failure;
1410
1411 }
1412 /* g(x, y, z). */
1413 else if (strcmp (long_options[option_index].name, "gxyz") == 0)
1414 {
1415
1416 if (args_info->staticProps_group_counter && override)
1417 reset_group_staticProps (args_info);
1418 args_info->staticProps_group_counter += 1;
1419
1420 if (update_arg( 0 ,
1421 0 , &(args_info->gxyz_given),
1422 &(local_args_info.gxyz_given), optarg, 0, 0, ARG_NO,
1423 check_ambiguity, override, 0, 0,
1424 "gxyz", '-',
1425 additional_error))
1426 goto failure;
1427
1428 }
1429 /* 2D g(r) (Slab width --dz must be specified). */
1430 else if (strcmp (long_options[option_index].name, "twodgofr") == 0)
1431 {
1432
1433 if (args_info->staticProps_group_counter && override)
1434 reset_group_staticProps (args_info);
1435 args_info->staticProps_group_counter += 1;
1436
1437 if (update_arg( 0 ,
1438 0 , &(args_info->twodgofr_given),
1439 &(local_args_info.twodgofr_given), optarg, 0, 0, ARG_NO,
1440 check_ambiguity, override, 0, 0,
1441 "twodgofr", '-',
1442 additional_error))
1443 goto failure;
1444
1445 }
1446 /* rp2 order parameter (--sele1 and --sele2 must be specified). */
1447 else if (strcmp (long_options[option_index].name, "rp2") == 0)
1448 {
1449
1450 if (args_info->staticProps_group_counter && override)
1451 reset_group_staticProps (args_info);
1452 args_info->staticProps_group_counter += 1;
1453
1454 if (update_arg( 0 ,
1455 0 , &(args_info->rp2_given),
1456 &(local_args_info.rp2_given), optarg, 0, 0, ARG_NO,
1457 check_ambiguity, override, 0, 0,
1458 "rp2", '-',
1459 additional_error))
1460 goto failure;
1461
1462 }
1463 /* slab density. */
1464 else if (strcmp (long_options[option_index].name, "slab_density") == 0)
1465 {
1466
1467 if (args_info->staticProps_group_counter && override)
1468 reset_group_staticProps (args_info);
1469 args_info->staticProps_group_counter += 1;
1470
1471 if (update_arg( 0 ,
1472 0 , &(args_info->slab_density_given),
1473 &(local_args_info.slab_density_given), optarg, 0, 0, ARG_NO,
1474 check_ambiguity, override, 0, 0,
1475 "slab_density", '-',
1476 additional_error))
1477 goto failure;
1478
1479 }
1480 /* p(cos(theta)). */
1481 else if (strcmp (long_options[option_index].name, "p_angle") == 0)
1482 {
1483
1484 if (args_info->staticProps_group_counter && override)
1485 reset_group_staticProps (args_info);
1486 args_info->staticProps_group_counter += 1;
1487
1488 if (update_arg( 0 ,
1489 0 , &(args_info->p_angle_given),
1490 &(local_args_info.p_angle_given), optarg, 0, 0, ARG_NO,
1491 check_ambiguity, override, 0, 0,
1492 "p_angle", '-',
1493 additional_error))
1494 goto failure;
1495
1496 }
1497 /* hxy. */
1498 else if (strcmp (long_options[option_index].name, "hxy") == 0)
1499 {
1500
1501 if (args_info->staticProps_group_counter && override)
1502 reset_group_staticProps (args_info);
1503 args_info->staticProps_group_counter += 1;
1504
1505 if (update_arg( 0 ,
1506 0 , &(args_info->hxy_given),
1507 &(local_args_info.hxy_given), optarg, 0, 0, ARG_NO,
1508 check_ambiguity, override, 0, 0,
1509 "hxy", '-',
1510 additional_error))
1511 goto failure;
1512
1513 }
1514 /* rho of R. */
1515 else if (strcmp (long_options[option_index].name, "rho_r") == 0)
1516 {
1517
1518 if (args_info->staticProps_group_counter && override)
1519 reset_group_staticProps (args_info);
1520 args_info->staticProps_group_counter += 1;
1521
1522 if (update_arg( 0 ,
1523 0 , &(args_info->rho_r_given),
1524 &(local_args_info.rho_r_given), optarg, 0, 0, ARG_NO,
1525 check_ambiguity, override, 0, 0,
1526 "rho_r", '-',
1527 additional_error))
1528 goto failure;
1529
1530 }
1531 /* angle of R. */
1532 else if (strcmp (long_options[option_index].name, "angle_r") == 0)
1533 {
1534
1535 if (args_info->staticProps_group_counter && override)
1536 reset_group_staticProps (args_info);
1537 args_info->staticProps_group_counter += 1;
1538
1539 if (update_arg( 0 ,
1540 0 , &(args_info->angle_r_given),
1541 &(local_args_info.angle_r_given), optarg, 0, 0, ARG_NO,
1542 check_ambiguity, override, 0, 0,
1543 "angle_r", '-',
1544 additional_error))
1545 goto failure;
1546
1547 }
1548 /* hull volume of nanoparticle. */
1549 else if (strcmp (long_options[option_index].name, "hullvol") == 0)
1550 {
1551
1552 if (args_info->staticProps_group_counter && override)
1553 reset_group_staticProps (args_info);
1554 args_info->staticProps_group_counter += 1;
1555
1556 if (update_arg( 0 ,
1557 0 , &(args_info->hullvol_given),
1558 &(local_args_info.hullvol_given), optarg, 0, 0, ARG_NO,
1559 check_ambiguity, override, 0, 0,
1560 "hullvol", '-',
1561 additional_error))
1562 goto failure;
1563
1564 }
1565 /* length of nanorod. */
1566 else if (strcmp (long_options[option_index].name, "rodlength") == 0)
1567 {
1568
1569 if (args_info->staticProps_group_counter && override)
1570 reset_group_staticProps (args_info);
1571 args_info->staticProps_group_counter += 1;
1572
1573 if (update_arg( 0 ,
1574 0 , &(args_info->rodlength_given),
1575 &(local_args_info.rodlength_given), optarg, 0, 0, ARG_NO,
1576 check_ambiguity, override, 0, 0,
1577 "rodlength", '-',
1578 additional_error))
1579 goto failure;
1580
1581 }
1582
1583 break;
1584 case '?': /* Invalid option. */
1585 /* `getopt_long' already printed an error message. */
1586 goto failure;
1587
1588 default: /* bug: option not considered. */
1589 fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : ""));
1590 abort ();
1591 } /* switch */
1592 } /* while */
1593
1594 if (args_info->staticProps_group_counter > 1)
1595 {
1596 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 : ""));
1597 error = 1;
1598 }
1599
1600
1601
1602 if (check_required)
1603 {
1604 error += cmdline_parser_required2 (args_info, argv[0], additional_error);
1605 }
1606
1607 cmdline_parser_release (&local_args_info);
1608
1609 if ( error )
1610 return (EXIT_FAILURE);
1611
1612 if (optind < argc)
1613 {
1614 int i = 0 ;
1615 int found_prog_name = 0;
1616 /* whether program name, i.e., argv[0], is in the remaining args
1617 (this may happen with some implementations of getopt,
1618 but surely not with the one included by gengetopt) */
1619
1620 i = optind;
1621 while (i < argc)
1622 if (argv[i++] == argv[0]) {
1623 found_prog_name = 1;
1624 break;
1625 }
1626 i = 0;
1627
1628 args_info->inputs_num = argc - optind - found_prog_name;
1629 args_info->inputs =
1630 (char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
1631 while (optind < argc)
1632 if (argv[optind++] != argv[0])
1633 args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
1634 }
1635
1636 return 0;
1637
1638 failure:
1639
1640 cmdline_parser_release (&local_args_info);
1641 return (EXIT_FAILURE);
1642 }

Properties

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