# | Line 1 | Line 1 | |
---|---|---|
1 | /* | |
2 | < | File autogenerated by gengetopt version 2.11 |
2 | > | File autogenerated by gengetopt version 2.16 |
3 | generated with the following command: | |
4 | < | /home/maul/gezelter/tim/bin/gengetopt -F StaticPropsCmd |
4 | > | gengetopt -F StaticPropsCmd |
5 | ||
6 | The developers of gengetopt consider the fixed text that goes in all | |
7 | gengetopt output files to be in the public domain: | |
8 | we make no copyright claims on it. | |
9 | */ | |
10 | ||
11 | – | |
12 | – | #include <stdio.h> |
13 | – | #include <stdlib.h> |
14 | – | #include <string.h> |
15 | – | |
11 | /* If we use autoconf. */ | |
12 | #ifdef HAVE_CONFIG_H | |
13 | #include "config.h" | |
14 | #endif | |
15 | ||
16 | + | #include <stdio.h> |
17 | + | #include <stdlib.h> |
18 | + | #include <string.h> |
19 | + | |
20 | #include "getopt.h" | |
21 | ||
22 | #include "StaticPropsCmd.h" | |
23 | ||
24 | + | static |
25 | + | void clear_given (struct gengetopt_args_info *args_info); |
26 | + | static |
27 | + | void clear_args (struct gengetopt_args_info *args_info); |
28 | + | |
29 | + | static int |
30 | + | cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required, const char *additional_error); |
31 | + | |
32 | + | static int |
33 | + | cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error); |
34 | + | |
35 | + | static char * |
36 | + | gengetopt_strdup (const char *s); |
37 | + | |
38 | + | static |
39 | + | void clear_given (struct gengetopt_args_info *args_info) |
40 | + | { |
41 | + | args_info->help_given = 0 ; |
42 | + | args_info->version_given = 0 ; |
43 | + | args_info->input_given = 0 ; |
44 | + | args_info->output_given = 0 ; |
45 | + | args_info->step_given = 0 ; |
46 | + | args_info->nrbins_given = 0 ; |
47 | + | args_info->nbins_x_given = 0 ; |
48 | + | args_info->nbins_y_given = 0 ; |
49 | + | args_info->nanglebins_given = 0 ; |
50 | + | args_info->length_given = 0 ; |
51 | + | args_info->zoffset_given = 0 ; |
52 | + | args_info->sele1_given = 0 ; |
53 | + | args_info->sele2_given = 0 ; |
54 | + | args_info->sele3_given = 0 ; |
55 | + | args_info->refsele_given = 0 ; |
56 | + | args_info->molname_given = 0 ; |
57 | + | args_info->begin_given = 0 ; |
58 | + | args_info->end_given = 0 ; |
59 | + | args_info->gofr_given = 0 ; |
60 | + | args_info->r_theta_given = 0 ; |
61 | + | args_info->r_omega_given = 0 ; |
62 | + | args_info->theta_omega_given = 0 ; |
63 | + | args_info->gxyz_given = 0 ; |
64 | + | args_info->p2_given = 0 ; |
65 | + | args_info->scd_given = 0 ; |
66 | + | args_info->density_given = 0 ; |
67 | + | args_info->slab_density_given = 0 ; |
68 | + | args_info->hxy_given = 0 ; |
69 | + | args_info->staticProps_group_counter = 0 ; |
70 | + | } |
71 | + | |
72 | + | static |
73 | + | void clear_args (struct gengetopt_args_info *args_info) |
74 | + | { |
75 | + | args_info->input_arg = NULL; |
76 | + | args_info->input_orig = NULL; |
77 | + | args_info->output_arg = NULL; |
78 | + | args_info->output_orig = NULL; |
79 | + | args_info->step_arg = 1; |
80 | + | args_info->step_orig = NULL; |
81 | + | args_info->nrbins_arg = 100; |
82 | + | args_info->nrbins_orig = NULL; |
83 | + | args_info->nbins_x_arg = 100; |
84 | + | args_info->nbins_x_orig = NULL; |
85 | + | args_info->nbins_y_arg = 100; |
86 | + | args_info->nbins_y_orig = NULL; |
87 | + | args_info->nanglebins_arg = 50; |
88 | + | args_info->nanglebins_orig = NULL; |
89 | + | args_info->length_orig = NULL; |
90 | + | args_info->zoffset_arg = 0; |
91 | + | args_info->zoffset_orig = NULL; |
92 | + | args_info->sele1_arg = NULL; |
93 | + | args_info->sele1_orig = NULL; |
94 | + | args_info->sele2_arg = NULL; |
95 | + | args_info->sele2_orig = NULL; |
96 | + | args_info->sele3_arg = NULL; |
97 | + | args_info->sele3_orig = NULL; |
98 | + | args_info->refsele_arg = NULL; |
99 | + | args_info->refsele_orig = NULL; |
100 | + | args_info->molname_arg = NULL; |
101 | + | args_info->molname_orig = NULL; |
102 | + | args_info->begin_orig = NULL; |
103 | + | args_info->end_orig = NULL; |
104 | + | |
105 | + | } |
106 | + | |
107 | void | |
108 | cmdline_parser_print_version (void) | |
109 | { | |
# | Line 32 | Line 114 | cmdline_parser_print_help (void) | |
114 | cmdline_parser_print_help (void) | |
115 | { | |
116 | cmdline_parser_print_version (); | |
117 | < | printf("\n" |
118 | < | "Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE); |
119 | < | printf("\n"); |
120 | < | printf(" -h, --help Print help and exit\n"); |
121 | < | printf(" -V, --version Print version and exit\n"); |
122 | < | printf(" -i, --input=filename input dump file\n"); |
123 | < | printf(" -o, --output=filename output file name\n"); |
124 | < | printf(" -n, --step=INT process every n frame (default=`1')\n"); |
125 | < | printf(" -r, --nrbins=INT number of bins for distance (default=`50')\n"); |
126 | < | printf(" -a, --nanglebins=INT number of bins for cos(angle) (default=`50')\n"); |
127 | < | printf(" -l, --length=DOUBLE maximum length (Defaults to 1/2 smallest \n length of first frame)\n"); |
128 | < | printf(" --sele1=selection script select first stuntdouble set\n"); |
129 | < | printf(" --sele2=selection script select second stuntdouble set\n"); |
130 | < | printf("\n"); |
131 | < | printf(" Group: staticProps an option of this group is required\n"); |
132 | < | printf(" --gofr g(r)\n"); |
133 | < | printf(" --r_theta g(r, cos(theta))\n"); |
134 | < | printf(" --r_omega g(r, cos(omega))\n"); |
135 | < | printf(" --theta_omega g(cos(theta), cos(omega))\n"); |
136 | < | printf(" --xyz g(x, y, z)\n"); |
117 | > | printf("\nUsage: StaticProps [OPTIONS]...\n\n"); |
118 | > | printf("%s\n"," -h, --help Print help and exit"); |
119 | > | printf("%s\n"," -V, --version Print version and exit"); |
120 | > | printf("%s\n"," -i, --input=filename input dump file"); |
121 | > | printf("%s\n"," -o, --output=filename output file name"); |
122 | > | printf("%s\n"," -n, --step=INT process every n frame (default=`1')"); |
123 | > | printf("%s\n"," -x, --nbins_x=INT number of bins in x axis (default=`100')"); |
124 | > | printf("%s\n"," -y , --nbins_y=INT number of bins in y axis (default=`100')"); |
125 | > | printf("%s\n"," -r, --nrbins=INT number of bins for distance (default=`100')"); |
126 | > | printf("%s\n"," -a, --nanglebins=INT number of bins for cos(angle) (default=`50')"); |
127 | > | printf("%s\n"," -l, --length=DOUBLE maximum length (Defaults to 1/2 smallest length \n of first frame)"); |
128 | > | printf("%s\n"," -z, --zoffset=DOUBLE Where to set the zero for the slab_density \n calculation (default=`0')"); |
129 | > | printf("%s\n"," --sele1=selection script select the first stuntdouble set"); |
130 | > | printf("%s\n"," --sele2=selection script select the second stuntdouble set"); |
131 | > | printf("%s\n"," --sele3=selection script select the third stuntdouble set"); |
132 | > | printf("%s\n"," --refsele=selection script\n select reference (use and only use with --gxyz)"); |
133 | > | printf("%s\n"," --molname=STRING molecule name"); |
134 | > | printf("%s\n"," --begin=INT begin interanl index"); |
135 | > | printf("%s\n"," --end=INT end internal index"); |
136 | > | printf("%s\n","\n Group: staticProps\n an option of this group is required"); |
137 | > | printf("%s\n"," --gofr g(r)"); |
138 | > | printf("%s\n"," --r_theta g(r, cos(theta))"); |
139 | > | printf("%s\n"," --r_omega g(r, cos(omega))"); |
140 | > | printf("%s\n"," --theta_omega g(cos(theta), cos(omega))"); |
141 | > | printf("%s\n"," --gxyz g(x, y, z)"); |
142 | > | printf("%s\n"," --p2 p2 order parameter (--sele1 and --sele2 must be \n specified)"); |
143 | > | printf("%s\n"," --scd scd order parameter(either --sele1, --sele2, \n --sele3 are specified or --molname, --begin, \n --end are specified)"); |
144 | > | printf("%s\n"," --density density plot (--sele1 must be specified)"); |
145 | > | printf("%s\n"," --slab_density slab density (--sele1 must be specified)"); |
146 | > | printf("%s\n"," --hxy hxy (--sele1 must be specified)"); |
147 | > | |
148 | } | |
149 | ||
150 | + | void |
151 | + | cmdline_parser_init (struct gengetopt_args_info *args_info) |
152 | + | { |
153 | + | clear_given (args_info); |
154 | + | clear_args (args_info); |
155 | + | } |
156 | ||
157 | < | static char *gengetopt_strdup (const char *s); |
157 | > | static void |
158 | > | cmdline_parser_release (struct gengetopt_args_info *args_info) |
159 | > | { |
160 | > | |
161 | > | if (args_info->input_arg) |
162 | > | { |
163 | > | free (args_info->input_arg); /* free previous argument */ |
164 | > | args_info->input_arg = 0; |
165 | > | } |
166 | > | if (args_info->input_orig) |
167 | > | { |
168 | > | free (args_info->input_orig); /* free previous argument */ |
169 | > | args_info->input_orig = 0; |
170 | > | } |
171 | > | if (args_info->output_arg) |
172 | > | { |
173 | > | free (args_info->output_arg); /* free previous argument */ |
174 | > | args_info->output_arg = 0; |
175 | > | } |
176 | > | if (args_info->output_orig) |
177 | > | { |
178 | > | free (args_info->output_orig); /* free previous argument */ |
179 | > | args_info->output_orig = 0; |
180 | > | } |
181 | > | if (args_info->step_orig) |
182 | > | { |
183 | > | free (args_info->step_orig); /* free previous argument */ |
184 | > | args_info->step_orig = 0; |
185 | > | } |
186 | > | if (args_info->nrbins_orig) |
187 | > | { |
188 | > | free (args_info->nrbins_orig); /* free previous argument */ |
189 | > | args_info->nrbins_orig = 0; |
190 | > | } |
191 | > | if (args_info->nbins_x_orig) |
192 | > | { |
193 | > | free (args_info->nbins_x_orig); /* free previous argument */ |
194 | > | args_info->nbins_x_orig = 0; |
195 | > | } |
196 | > | if (args_info->nbins_y_orig) |
197 | > | { |
198 | > | free (args_info->nbins_y_orig); /* free previous argument */ |
199 | > | args_info->nbins_y_orig = 0; |
200 | > | } |
201 | > | |
202 | > | if (args_info->nanglebins_orig) |
203 | > | { |
204 | > | free (args_info->nanglebins_orig); /* free previous argument */ |
205 | > | args_info->nanglebins_orig = 0; |
206 | > | } |
207 | > | if (args_info->length_orig) |
208 | > | { |
209 | > | free (args_info->length_orig); /* free previous argument */ |
210 | > | args_info->length_orig = 0; |
211 | > | } |
212 | > | if (args_info->zoffset_orig) |
213 | > | { |
214 | > | free (args_info->zoffset_orig); /* free previous argument */ |
215 | > | args_info->zoffset_orig = 0; |
216 | > | } |
217 | > | if (args_info->sele1_arg) |
218 | > | { |
219 | > | free (args_info->sele1_arg); /* free previous argument */ |
220 | > | args_info->sele1_arg = 0; |
221 | > | } |
222 | > | if (args_info->sele1_orig) |
223 | > | { |
224 | > | free (args_info->sele1_orig); /* free previous argument */ |
225 | > | args_info->sele1_orig = 0; |
226 | > | } |
227 | > | if (args_info->sele2_arg) |
228 | > | { |
229 | > | free (args_info->sele2_arg); /* free previous argument */ |
230 | > | args_info->sele2_arg = 0; |
231 | > | } |
232 | > | if (args_info->sele2_orig) |
233 | > | { |
234 | > | free (args_info->sele2_orig); /* free previous argument */ |
235 | > | args_info->sele2_orig = 0; |
236 | > | } |
237 | > | if (args_info->sele3_arg) |
238 | > | { |
239 | > | free (args_info->sele3_arg); /* free previous argument */ |
240 | > | args_info->sele3_arg = 0; |
241 | > | } |
242 | > | if (args_info->sele3_orig) |
243 | > | { |
244 | > | free (args_info->sele3_orig); /* free previous argument */ |
245 | > | args_info->sele3_orig = 0; |
246 | > | } |
247 | > | if (args_info->refsele_arg) |
248 | > | { |
249 | > | free (args_info->refsele_arg); /* free previous argument */ |
250 | > | args_info->refsele_arg = 0; |
251 | > | } |
252 | > | if (args_info->refsele_orig) |
253 | > | { |
254 | > | free (args_info->refsele_orig); /* free previous argument */ |
255 | > | args_info->refsele_orig = 0; |
256 | > | } |
257 | > | if (args_info->molname_arg) |
258 | > | { |
259 | > | free (args_info->molname_arg); /* free previous argument */ |
260 | > | args_info->molname_arg = 0; |
261 | > | } |
262 | > | if (args_info->molname_orig) |
263 | > | { |
264 | > | free (args_info->molname_orig); /* free previous argument */ |
265 | > | args_info->molname_orig = 0; |
266 | > | } |
267 | > | if (args_info->begin_orig) |
268 | > | { |
269 | > | free (args_info->begin_orig); /* free previous argument */ |
270 | > | args_info->begin_orig = 0; |
271 | > | } |
272 | > | if (args_info->end_orig) |
273 | > | { |
274 | > | free (args_info->end_orig); /* free previous argument */ |
275 | > | args_info->end_orig = 0; |
276 | > | } |
277 | > | |
278 | > | clear_given (args_info); |
279 | > | } |
280 | ||
281 | + | int |
282 | + | cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info) |
283 | + | { |
284 | + | FILE *outfile; |
285 | + | int i = 0; |
286 | + | |
287 | + | outfile = fopen(filename, "w"); |
288 | + | |
289 | + | if (!outfile) |
290 | + | { |
291 | + | fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename); |
292 | + | return EXIT_FAILURE; |
293 | + | } |
294 | + | |
295 | + | if (args_info->help_given) { |
296 | + | fprintf(outfile, "%s\n", "help"); |
297 | + | } |
298 | + | if (args_info->version_given) { |
299 | + | fprintf(outfile, "%s\n", "version"); |
300 | + | } |
301 | + | if (args_info->input_given) { |
302 | + | if (args_info->input_orig) { |
303 | + | fprintf(outfile, "%s=\"%s\"\n", "input", args_info->input_orig); |
304 | + | } else { |
305 | + | fprintf(outfile, "%s\n", "input"); |
306 | + | } |
307 | + | } |
308 | + | if (args_info->output_given) { |
309 | + | if (args_info->output_orig) { |
310 | + | fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig); |
311 | + | } else { |
312 | + | fprintf(outfile, "%s\n", "output"); |
313 | + | } |
314 | + | } |
315 | + | if (args_info->step_given) { |
316 | + | if (args_info->step_orig) { |
317 | + | fprintf(outfile, "%s=\"%s\"\n", "step", args_info->step_orig); |
318 | + | } else { |
319 | + | fprintf(outfile, "%s\n", "step"); |
320 | + | } |
321 | + | } |
322 | + | if (args_info->nrbins_given) { |
323 | + | if (args_info->nrbins_orig) { |
324 | + | fprintf(outfile, "%s=\"%s\"\n", "nrbins", args_info->nrbins_orig); |
325 | + | } else { |
326 | + | fprintf(outfile, "%s\n", "nrbins"); |
327 | + | } |
328 | + | } |
329 | + | if (args_info->nbins_x_given) { |
330 | + | if (args_info->nbins_x_orig) { |
331 | + | fprintf(outfile, "%s=\"%s\"\n", "nbins_x", args_info->nbins_x_orig); |
332 | + | } else { |
333 | + | fprintf(outfile, "%s\n", "nbins_x"); |
334 | + | } |
335 | + | } |
336 | + | if (args_info->nbins_y_given) { |
337 | + | if (args_info->nbins_y_orig) { |
338 | + | fprintf(outfile, "%s=\"%s\"\n", "nbins_y", args_info->nbins_y_orig); |
339 | + | } else { |
340 | + | fprintf(outfile, "%s\n", "nbins_y"); |
341 | + | } |
342 | + | } |
343 | + | if (args_info->nanglebins_given) { |
344 | + | if (args_info->nanglebins_orig) { |
345 | + | fprintf(outfile, "%s=\"%s\"\n", "nanglebins", args_info->nanglebins_orig); |
346 | + | } else { |
347 | + | fprintf(outfile, "%s\n", "nanglebins"); |
348 | + | } |
349 | + | } |
350 | + | if (args_info->length_given) { |
351 | + | if (args_info->length_orig) { |
352 | + | fprintf(outfile, "%s=\"%s\"\n", "length", args_info->length_orig); |
353 | + | } else { |
354 | + | fprintf(outfile, "%s\n", "length"); |
355 | + | } |
356 | + | } |
357 | + | if (args_info->zoffset_given) { |
358 | + | if (args_info->zoffset_orig) { |
359 | + | fprintf(outfile, "%s=\"%s\"\n", "zoffset", args_info->zoffset_orig); |
360 | + | } else { |
361 | + | fprintf(outfile, "%s\n", "zoffset"); |
362 | + | } |
363 | + | } |
364 | + | if (args_info->sele1_given) { |
365 | + | if (args_info->sele1_orig) { |
366 | + | fprintf(outfile, "%s=\"%s\"\n", "sele1", args_info->sele1_orig); |
367 | + | } else { |
368 | + | fprintf(outfile, "%s\n", "sele1"); |
369 | + | } |
370 | + | } |
371 | + | if (args_info->sele2_given) { |
372 | + | if (args_info->sele2_orig) { |
373 | + | fprintf(outfile, "%s=\"%s\"\n", "sele2", args_info->sele2_orig); |
374 | + | } else { |
375 | + | fprintf(outfile, "%s\n", "sele2"); |
376 | + | } |
377 | + | } |
378 | + | if (args_info->sele3_given) { |
379 | + | if (args_info->sele3_orig) { |
380 | + | fprintf(outfile, "%s=\"%s\"\n", "sele3", args_info->sele3_orig); |
381 | + | } else { |
382 | + | fprintf(outfile, "%s\n", "sele3"); |
383 | + | } |
384 | + | } |
385 | + | if (args_info->refsele_given) { |
386 | + | if (args_info->refsele_orig) { |
387 | + | fprintf(outfile, "%s=\"%s\"\n", "refsele", args_info->refsele_orig); |
388 | + | } else { |
389 | + | fprintf(outfile, "%s\n", "refsele"); |
390 | + | } |
391 | + | } |
392 | + | if (args_info->molname_given) { |
393 | + | if (args_info->molname_orig) { |
394 | + | fprintf(outfile, "%s=\"%s\"\n", "molname", args_info->molname_orig); |
395 | + | } else { |
396 | + | fprintf(outfile, "%s\n", "molname"); |
397 | + | } |
398 | + | } |
399 | + | if (args_info->begin_given) { |
400 | + | if (args_info->begin_orig) { |
401 | + | fprintf(outfile, "%s=\"%s\"\n", "begin", args_info->begin_orig); |
402 | + | } else { |
403 | + | fprintf(outfile, "%s\n", "begin"); |
404 | + | } |
405 | + | } |
406 | + | if (args_info->end_given) { |
407 | + | if (args_info->end_orig) { |
408 | + | fprintf(outfile, "%s=\"%s\"\n", "end", args_info->end_orig); |
409 | + | } else { |
410 | + | fprintf(outfile, "%s\n", "end"); |
411 | + | } |
412 | + | } |
413 | + | if (args_info->gofr_given) { |
414 | + | fprintf(outfile, "%s\n", "gofr"); |
415 | + | } |
416 | + | if (args_info->r_theta_given) { |
417 | + | fprintf(outfile, "%s\n", "r_theta"); |
418 | + | } |
419 | + | if (args_info->r_omega_given) { |
420 | + | fprintf(outfile, "%s\n", "r_omega"); |
421 | + | } |
422 | + | if (args_info->theta_omega_given) { |
423 | + | fprintf(outfile, "%s\n", "theta_omega"); |
424 | + | } |
425 | + | if (args_info->gxyz_given) { |
426 | + | fprintf(outfile, "%s\n", "gxyz"); |
427 | + | } |
428 | + | if (args_info->p2_given) { |
429 | + | fprintf(outfile, "%s\n", "p2"); |
430 | + | } |
431 | + | if (args_info->scd_given) { |
432 | + | fprintf(outfile, "%s\n", "scd"); |
433 | + | } |
434 | + | if (args_info->density_given) { |
435 | + | fprintf(outfile, "%s\n", "density"); |
436 | + | } |
437 | + | if (args_info->slab_density_given) { |
438 | + | fprintf(outfile, "%s\n", "slab_density"); |
439 | + | } |
440 | + | if (args_info->hxy_given) { |
441 | + | fprintf(outfile, "%s\n", "hxy"); |
442 | + | } |
443 | + | fclose (outfile); |
444 | + | |
445 | + | i = EXIT_SUCCESS; |
446 | + | return i; |
447 | + | } |
448 | + | |
449 | + | void |
450 | + | cmdline_parser_free (struct gengetopt_args_info *args_info) |
451 | + | { |
452 | + | cmdline_parser_release (args_info); |
453 | + | } |
454 | + | |
455 | + | |
456 | /* gengetopt_strdup() */ | |
457 | /* strdup.c replacement of strdup, which is not standard */ | |
458 | char * | |
459 | gengetopt_strdup (const char *s) | |
460 | { | |
461 | < | char *result = (char*)malloc(strlen(s) + 1); |
461 | > | char *result = NULL; |
462 | > | if (!s) |
463 | > | return result; |
464 | > | |
465 | > | result = (char*)malloc(strlen(s) + 1); |
466 | if (result == (char*)0) | |
467 | return (char*)0; | |
468 | strcpy(result, s); | |
469 | return result; | |
470 | } | |
471 | ||
472 | < | int |
473 | < | cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info) |
472 | > | static void |
473 | > | reset_group_staticProps(struct gengetopt_args_info *args_info); |
474 | > | |
475 | > | static void |
476 | > | reset_group_staticProps(struct gengetopt_args_info *args_info) |
477 | { | |
478 | < | int c; /* Character of the parsed option. */ |
479 | < | int missing_required_options = 0; |
77 | < | int staticProps_group_counter = 0; |
478 | > | if (! args_info->staticProps_group_counter) |
479 | > | return; |
480 | ||
79 | – | |
80 | – | args_info->help_given = 0 ; |
81 | – | args_info->version_given = 0 ; |
82 | – | args_info->input_given = 0 ; |
83 | – | args_info->output_given = 0 ; |
84 | – | args_info->step_given = 0 ; |
85 | – | args_info->nrbins_given = 0 ; |
86 | – | args_info->nanglebins_given = 0 ; |
87 | – | args_info->length_given = 0 ; |
88 | – | args_info->sele1_given = 0 ; |
89 | – | args_info->sele2_given = 0 ; |
481 | args_info->gofr_given = 0 ; | |
482 | args_info->r_theta_given = 0 ; | |
483 | args_info->r_omega_given = 0 ; | |
484 | args_info->theta_omega_given = 0 ; | |
485 | < | args_info->xyz_given = 0 ; |
486 | < | #define clear_args() { \ |
487 | < | args_info->input_arg = NULL; \ |
488 | < | args_info->output_arg = NULL; \ |
489 | < | args_info->step_arg = 1 ;\ |
490 | < | args_info->nrbins_arg = 50 ;\ |
491 | < | args_info->nanglebins_arg = 50 ;\ |
492 | < | args_info->sele1_arg = NULL; \ |
102 | < | args_info->sele2_arg = NULL; \ |
485 | > | args_info->gxyz_given = 0 ; |
486 | > | args_info->p2_given = 0 ; |
487 | > | args_info->scd_given = 0 ; |
488 | > | args_info->density_given = 0 ; |
489 | > | args_info->slab_density_given = 0 ; |
490 | > | args_info->hxy_given= 0 ; |
491 | > | |
492 | > | args_info->staticProps_group_counter = 0; |
493 | } | |
494 | ||
495 | < | clear_args(); |
495 | > | int |
496 | > | cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info) |
497 | > | { |
498 | > | return cmdline_parser2 (argc, argv, args_info, 0, 1, 1); |
499 | > | } |
500 | ||
501 | + | int |
502 | + | cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required) |
503 | + | { |
504 | + | int result; |
505 | + | |
506 | + | result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL); |
507 | + | |
508 | + | if (result == EXIT_FAILURE) |
509 | + | { |
510 | + | cmdline_parser_free (args_info); |
511 | + | exit (EXIT_FAILURE); |
512 | + | } |
513 | + | |
514 | + | return result; |
515 | + | } |
516 | + | |
517 | + | int |
518 | + | cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name) |
519 | + | { |
520 | + | int result = EXIT_SUCCESS; |
521 | + | |
522 | + | if (cmdline_parser_required2(args_info, prog_name, NULL) > 0) |
523 | + | result = EXIT_FAILURE; |
524 | + | |
525 | + | if (result == EXIT_FAILURE) |
526 | + | { |
527 | + | cmdline_parser_free (args_info); |
528 | + | exit (EXIT_FAILURE); |
529 | + | } |
530 | + | |
531 | + | return result; |
532 | + | } |
533 | + | |
534 | + | int |
535 | + | cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error) |
536 | + | { |
537 | + | int error = 0; |
538 | + | |
539 | + | if (! args_info->input_given) |
540 | + | { |
541 | + | fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : "")); |
542 | + | error = 1; |
543 | + | } |
544 | + | if (args_info->staticProps_group_counter == 0) |
545 | + | { |
546 | + | 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 : "")); |
547 | + | error = 1; |
548 | + | } |
549 | + | |
550 | + | |
551 | + | return error; |
552 | + | } |
553 | + | |
554 | + | int |
555 | + | cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required, const char *additional_error) |
556 | + | { |
557 | + | int c; /* Character of the parsed option. */ |
558 | + | |
559 | + | int error = 0; |
560 | + | struct gengetopt_args_info local_args_info; |
561 | + | |
562 | + | if (initialize) |
563 | + | cmdline_parser_init (args_info); |
564 | + | |
565 | + | cmdline_parser_init (&local_args_info); |
566 | + | |
567 | optarg = 0; | |
568 | < | optind = 1; |
568 | > | optind = 0; |
569 | opterr = 1; | |
570 | optopt = '?'; | |
571 | ||
# | Line 123 | Line 583 | cmdline_parser (int argc, char * const *argv, struct g | |
583 | { "nrbins", 1, NULL, 'r' }, | |
584 | { "nanglebins", 1, NULL, 'a' }, | |
585 | { "length", 1, NULL, 'l' }, | |
586 | + | { "zoffset", 1, NULL, 'z' }, |
587 | { "sele1", 1, NULL, 0 }, | |
588 | { "sele2", 1, NULL, 0 }, | |
589 | + | { "sele3", 1, NULL, 0 }, |
590 | + | { "refsele", 1, NULL, 0 }, |
591 | + | { "molname", 1, NULL, 0 }, |
592 | + | { "begin", 1, NULL, 0 }, |
593 | + | { "end", 1, NULL, 0 }, |
594 | { "gofr", 0, NULL, 0 }, | |
595 | { "r_theta", 0, NULL, 0 }, | |
596 | { "r_omega", 0, NULL, 0 }, | |
597 | { "theta_omega", 0, NULL, 0 }, | |
598 | < | { "xyz", 0, NULL, 0 }, |
598 | > | { "gxyz", 0, NULL, 0 }, |
599 | > | { "p2", 0, NULL, 0 }, |
600 | > | { "scd", 0, NULL, 0 }, |
601 | > | { "density", 0, NULL, 0 }, |
602 | > | { "slab_density", 0, NULL, 0 }, |
603 | > | { "hxy", 0, NULL, 0 }, |
604 | { NULL, 0, NULL, 0 } | |
605 | }; | |
606 | ||
607 | stop_char = 0; | |
608 | < | c = getopt_long (argc, argv, "hVi:o:n:r:a:l:", long_options, &option_index); |
608 | > | c = getopt_long (argc, argv, "hVi:o:n:r:a:l:z:", long_options, &option_index); |
609 | ||
610 | if (c == -1) break; /* Exit from `while (1)' loop. */ | |
611 | ||
612 | switch (c) | |
613 | { | |
614 | case 'h': /* Print help and exit. */ | |
144 | – | clear_args (); |
615 | cmdline_parser_print_help (); | |
616 | + | cmdline_parser_free (&local_args_info); |
617 | exit (EXIT_SUCCESS); | |
618 | ||
619 | case 'V': /* Print version and exit. */ | |
149 | – | clear_args (); |
620 | cmdline_parser_print_version (); | |
621 | + | cmdline_parser_free (&local_args_info); |
622 | exit (EXIT_SUCCESS); | |
623 | ||
624 | case 'i': /* input dump file. */ | |
625 | < | if (args_info->input_given) |
625 | > | if (local_args_info.input_given) |
626 | { | |
627 | < | fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
628 | < | clear_args (); |
158 | < | exit (EXIT_FAILURE); |
627 | > | fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
628 | > | goto failure; |
629 | } | |
630 | + | if (args_info->input_given && ! override) |
631 | + | continue; |
632 | + | local_args_info.input_given = 1; |
633 | args_info->input_given = 1; | |
634 | + | if (args_info->input_arg) |
635 | + | free (args_info->input_arg); /* free previous string */ |
636 | args_info->input_arg = gengetopt_strdup (optarg); | |
637 | + | if (args_info->input_orig) |
638 | + | free (args_info->input_orig); /* free previous string */ |
639 | + | args_info->input_orig = gengetopt_strdup (optarg); |
640 | break; | |
641 | ||
642 | case 'o': /* output file name. */ | |
643 | < | if (args_info->output_given) |
643 | > | if (local_args_info.output_given) |
644 | { | |
645 | < | fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
646 | < | clear_args (); |
169 | < | exit (EXIT_FAILURE); |
645 | > | fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
646 | > | goto failure; |
647 | } | |
648 | + | if (args_info->output_given && ! override) |
649 | + | continue; |
650 | + | local_args_info.output_given = 1; |
651 | args_info->output_given = 1; | |
652 | + | if (args_info->output_arg) |
653 | + | free (args_info->output_arg); /* free previous string */ |
654 | args_info->output_arg = gengetopt_strdup (optarg); | |
655 | + | if (args_info->output_orig) |
656 | + | free (args_info->output_orig); /* free previous string */ |
657 | + | args_info->output_orig = gengetopt_strdup (optarg); |
658 | break; | |
659 | ||
660 | case 'n': /* process every n frame. */ | |
661 | < | if (args_info->step_given) |
661 | > | if (local_args_info.step_given) |
662 | { | |
663 | < | fprintf (stderr, "%s: `--step' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
664 | < | clear_args (); |
180 | < | exit (EXIT_FAILURE); |
663 | > | fprintf (stderr, "%s: `--step' (`-n') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
664 | > | goto failure; |
665 | } | |
666 | + | if (args_info->step_given && ! override) |
667 | + | continue; |
668 | + | local_args_info.step_given = 1; |
669 | args_info->step_given = 1; | |
670 | < | args_info->step_arg = strtol (optarg,&stop_char,0); |
670 | > | args_info->step_arg = strtol (optarg, &stop_char, 0); |
671 | > | if (!(stop_char && *stop_char == '\0')) { |
672 | > | fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
673 | > | goto failure; |
674 | > | } |
675 | > | if (args_info->step_orig) |
676 | > | free (args_info->step_orig); /* free previous string */ |
677 | > | args_info->step_orig = gengetopt_strdup (optarg); |
678 | break; | |
679 | ||
680 | case 'r': /* number of bins for distance. */ | |
681 | < | if (args_info->nrbins_given) |
681 | > | if (local_args_info.nrbins_given) |
682 | { | |
683 | < | fprintf (stderr, "%s: `--nrbins' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
684 | < | clear_args (); |
191 | < | exit (EXIT_FAILURE); |
683 | > | fprintf (stderr, "%s: `--nrbins' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
684 | > | goto failure; |
685 | } | |
686 | + | if (args_info->nrbins_given && ! override) |
687 | + | continue; |
688 | + | local_args_info.nrbins_given = 1; |
689 | args_info->nrbins_given = 1; | |
690 | < | args_info->nrbins_arg = strtol (optarg,&stop_char,0); |
690 | > | args_info->nrbins_arg = strtol (optarg, &stop_char, 0); |
691 | > | if (!(stop_char && *stop_char == '\0')) { |
692 | > | fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
693 | > | goto failure; |
694 | > | } |
695 | > | if (args_info->nrbins_orig) |
696 | > | free (args_info->nrbins_orig); /* free previous string */ |
697 | > | args_info->nrbins_orig = gengetopt_strdup (optarg); |
698 | break; | |
699 | ||
700 | + | case 'x': /* number of bins in x axis. */ |
701 | + | if (local_args_info.nbins_x_given) |
702 | + | { |
703 | + | fprintf (stderr, "%s: `--nbins_x' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
704 | + | goto failure; |
705 | + | } |
706 | + | if (args_info->nbins_x_given && ! override) |
707 | + | continue; |
708 | + | local_args_info.nbins_x_given = 1; |
709 | + | args_info->nbins_x_given = 1; |
710 | + | args_info->nbins_x_arg = strtol (optarg, &stop_char, 0); |
711 | + | if (!(stop_char && *stop_char == '\0')) { |
712 | + | fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
713 | + | goto failure; |
714 | + | } |
715 | + | if (args_info->nbins_x_orig) |
716 | + | free (args_info->nbins_x_orig); /* free previous string */ |
717 | + | args_info->nbins_x_orig = gengetopt_strdup (optarg); |
718 | + | break; |
719 | + | |
720 | + | case 'y': /* number of bins in y axis. */ |
721 | + | if (local_args_info.nbins_y_given) |
722 | + | { |
723 | + | fprintf (stderr, "%s: `--nbins_y' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
724 | + | goto failure; |
725 | + | } |
726 | + | if (args_info->nbins_y_given && ! override) |
727 | + | continue; |
728 | + | local_args_info.nbins_y_given = 1; |
729 | + | args_info->nbins_y_given = 1; |
730 | + | args_info->nbins_y_arg = strtol (optarg, &stop_char, 0); |
731 | + | if (!(stop_char && *stop_char == '\0')) { |
732 | + | fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
733 | + | goto failure; |
734 | + | } |
735 | + | if (args_info->nbins_y_orig) |
736 | + | free (args_info->nbins_y_orig); /* free previous string */ |
737 | + | args_info->nbins_y_orig = gengetopt_strdup (optarg); |
738 | + | break; |
739 | + | |
740 | case 'a': /* number of bins for cos(angle). */ | |
741 | < | if (args_info->nanglebins_given) |
741 | > | if (local_args_info.nanglebins_given) |
742 | { | |
743 | < | fprintf (stderr, "%s: `--nanglebins' (`-a') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
744 | < | clear_args (); |
202 | < | exit (EXIT_FAILURE); |
743 | > | fprintf (stderr, "%s: `--nanglebins' (`-a') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
744 | > | goto failure; |
745 | } | |
746 | + | if (args_info->nanglebins_given && ! override) |
747 | + | continue; |
748 | + | local_args_info.nanglebins_given = 1; |
749 | args_info->nanglebins_given = 1; | |
750 | < | args_info->nanglebins_arg = strtol (optarg,&stop_char,0); |
750 | > | args_info->nanglebins_arg = strtol (optarg, &stop_char, 0); |
751 | > | if (!(stop_char && *stop_char == '\0')) { |
752 | > | fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
753 | > | goto failure; |
754 | > | } |
755 | > | if (args_info->nanglebins_orig) |
756 | > | free (args_info->nanglebins_orig); /* free previous string */ |
757 | > | args_info->nanglebins_orig = gengetopt_strdup (optarg); |
758 | break; | |
759 | ||
760 | case 'l': /* maximum length (Defaults to 1/2 smallest length of first frame). */ | |
761 | < | if (args_info->length_given) |
761 | > | if (local_args_info.length_given) |
762 | { | |
763 | < | fprintf (stderr, "%s: `--length' (`-l') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
764 | < | clear_args (); |
213 | < | exit (EXIT_FAILURE); |
763 | > | fprintf (stderr, "%s: `--length' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
764 | > | goto failure; |
765 | } | |
766 | + | if (args_info->length_given && ! override) |
767 | + | continue; |
768 | + | local_args_info.length_given = 1; |
769 | args_info->length_given = 1; | |
770 | < | args_info->length_arg = strtod (optarg, NULL); |
770 | > | args_info->length_arg = strtod (optarg, &stop_char); |
771 | > | if (!(stop_char && *stop_char == '\0')) { |
772 | > | fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
773 | > | goto failure; |
774 | > | } |
775 | > | if (args_info->length_orig) |
776 | > | free (args_info->length_orig); /* free previous string */ |
777 | > | args_info->length_orig = gengetopt_strdup (optarg); |
778 | break; | |
779 | ||
780 | + | case 'z': /* Where to set the zero for the slab_density calculation. */ |
781 | + | if (local_args_info.zoffset_given) |
782 | + | { |
783 | + | fprintf (stderr, "%s: `--zoffset' (`-z') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
784 | + | goto failure; |
785 | + | } |
786 | + | if (args_info->zoffset_given && ! override) |
787 | + | continue; |
788 | + | local_args_info.zoffset_given = 1; |
789 | + | args_info->zoffset_given = 1; |
790 | + | args_info->zoffset_arg = strtod (optarg, &stop_char); |
791 | + | if (!(stop_char && *stop_char == '\0')) { |
792 | + | fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
793 | + | goto failure; |
794 | + | } |
795 | + | if (args_info->zoffset_orig) |
796 | + | free (args_info->zoffset_orig); /* free previous string */ |
797 | + | args_info->zoffset_orig = gengetopt_strdup (optarg); |
798 | + | break; |
799 | ||
800 | + | |
801 | case 0: /* Long option with no short option */ | |
802 | < | /* select first stuntdouble set. */ |
802 | > | /* select the first stuntdouble set. */ |
803 | if (strcmp (long_options[option_index].name, "sele1") == 0) | |
804 | { | |
805 | < | if (args_info->sele1_given) |
805 | > | if (local_args_info.sele1_given) |
806 | { | |
807 | < | fprintf (stderr, "%s: `--sele1' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
808 | < | clear_args (); |
228 | < | exit (EXIT_FAILURE); |
807 | > | fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
808 | > | goto failure; |
809 | } | |
810 | + | if (args_info->sele1_given && ! override) |
811 | + | continue; |
812 | + | local_args_info.sele1_given = 1; |
813 | args_info->sele1_given = 1; | |
814 | + | if (args_info->sele1_arg) |
815 | + | free (args_info->sele1_arg); /* free previous string */ |
816 | args_info->sele1_arg = gengetopt_strdup (optarg); | |
817 | < | break; |
817 | > | if (args_info->sele1_orig) |
818 | > | free (args_info->sele1_orig); /* free previous string */ |
819 | > | args_info->sele1_orig = gengetopt_strdup (optarg); |
820 | } | |
821 | < | |
235 | < | /* select second stuntdouble set. */ |
821 | > | /* select the second stuntdouble set. */ |
822 | else if (strcmp (long_options[option_index].name, "sele2") == 0) | |
823 | { | |
824 | < | if (args_info->sele2_given) |
824 | > | if (local_args_info.sele2_given) |
825 | { | |
826 | < | fprintf (stderr, "%s: `--sele2' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
827 | < | clear_args (); |
242 | < | exit (EXIT_FAILURE); |
826 | > | fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
827 | > | goto failure; |
828 | } | |
829 | + | if (args_info->sele2_given && ! override) |
830 | + | continue; |
831 | + | local_args_info.sele2_given = 1; |
832 | args_info->sele2_given = 1; | |
833 | + | if (args_info->sele2_arg) |
834 | + | free (args_info->sele2_arg); /* free previous string */ |
835 | args_info->sele2_arg = gengetopt_strdup (optarg); | |
836 | < | break; |
836 | > | if (args_info->sele2_orig) |
837 | > | free (args_info->sele2_orig); /* free previous string */ |
838 | > | args_info->sele2_orig = gengetopt_strdup (optarg); |
839 | } | |
840 | < | |
841 | < | /* g(r). */ |
250 | < | else if (strcmp (long_options[option_index].name, "gofr") == 0) |
840 | > | /* select the third stuntdouble set. */ |
841 | > | else if (strcmp (long_options[option_index].name, "sele3") == 0) |
842 | { | |
843 | < | if (args_info->gofr_given) |
843 | > | if (local_args_info.sele3_given) |
844 | { | |
845 | < | fprintf (stderr, "%s: `--gofr' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
846 | < | clear_args (); |
256 | < | exit (EXIT_FAILURE); |
845 | > | fprintf (stderr, "%s: `--sele3' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
846 | > | goto failure; |
847 | } | |
848 | < | args_info->gofr_given = 1; staticProps_group_counter += 1; |
849 | < | |
848 | > | if (args_info->sele3_given && ! override) |
849 | > | continue; |
850 | > | local_args_info.sele3_given = 1; |
851 | > | args_info->sele3_given = 1; |
852 | > | if (args_info->sele3_arg) |
853 | > | free (args_info->sele3_arg); /* free previous string */ |
854 | > | args_info->sele3_arg = gengetopt_strdup (optarg); |
855 | > | if (args_info->sele3_orig) |
856 | > | free (args_info->sele3_orig); /* free previous string */ |
857 | > | args_info->sele3_orig = gengetopt_strdup (optarg); |
858 | > | } |
859 | > | /* select reference (use and only use with --gxyz). */ |
860 | > | else if (strcmp (long_options[option_index].name, "refsele") == 0) |
861 | > | { |
862 | > | if (local_args_info.refsele_given) |
863 | > | { |
864 | > | fprintf (stderr, "%s: `--refsele' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
865 | > | goto failure; |
866 | > | } |
867 | > | if (args_info->refsele_given && ! override) |
868 | > | continue; |
869 | > | local_args_info.refsele_given = 1; |
870 | > | args_info->refsele_given = 1; |
871 | > | if (args_info->refsele_arg) |
872 | > | free (args_info->refsele_arg); /* free previous string */ |
873 | > | args_info->refsele_arg = gengetopt_strdup (optarg); |
874 | > | if (args_info->refsele_orig) |
875 | > | free (args_info->refsele_orig); /* free previous string */ |
876 | > | args_info->refsele_orig = gengetopt_strdup (optarg); |
877 | > | } |
878 | > | /* molecule name. */ |
879 | > | else if (strcmp (long_options[option_index].name, "molname") == 0) |
880 | > | { |
881 | > | if (local_args_info.molname_given) |
882 | > | { |
883 | > | fprintf (stderr, "%s: `--molname' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
884 | > | goto failure; |
885 | > | } |
886 | > | if (args_info->molname_given && ! override) |
887 | > | continue; |
888 | > | local_args_info.molname_given = 1; |
889 | > | args_info->molname_given = 1; |
890 | > | if (args_info->molname_arg) |
891 | > | free (args_info->molname_arg); /* free previous string */ |
892 | > | args_info->molname_arg = gengetopt_strdup (optarg); |
893 | > | if (args_info->molname_orig) |
894 | > | free (args_info->molname_orig); /* free previous string */ |
895 | > | args_info->molname_orig = gengetopt_strdup (optarg); |
896 | > | } |
897 | > | /* begin interanl index. */ |
898 | > | else if (strcmp (long_options[option_index].name, "begin") == 0) |
899 | > | { |
900 | > | if (local_args_info.begin_given) |
901 | > | { |
902 | > | fprintf (stderr, "%s: `--begin' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
903 | > | goto failure; |
904 | > | } |
905 | > | if (args_info->begin_given && ! override) |
906 | > | continue; |
907 | > | local_args_info.begin_given = 1; |
908 | > | args_info->begin_given = 1; |
909 | > | args_info->begin_arg = strtol (optarg, &stop_char, 0); |
910 | > | if (!(stop_char && *stop_char == '\0')) { |
911 | > | fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
912 | > | goto failure; |
913 | > | } |
914 | > | if (args_info->begin_orig) |
915 | > | free (args_info->begin_orig); /* free previous string */ |
916 | > | args_info->begin_orig = gengetopt_strdup (optarg); |
917 | > | } |
918 | > | /* end internal index. */ |
919 | > | else if (strcmp (long_options[option_index].name, "end") == 0) |
920 | > | { |
921 | > | if (local_args_info.end_given) |
922 | > | { |
923 | > | fprintf (stderr, "%s: `--end' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
924 | > | goto failure; |
925 | > | } |
926 | > | if (args_info->end_given && ! override) |
927 | > | continue; |
928 | > | local_args_info.end_given = 1; |
929 | > | args_info->end_given = 1; |
930 | > | args_info->end_arg = strtol (optarg, &stop_char, 0); |
931 | > | if (!(stop_char && *stop_char == '\0')) { |
932 | > | fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
933 | > | goto failure; |
934 | > | } |
935 | > | if (args_info->end_orig) |
936 | > | free (args_info->end_orig); /* free previous string */ |
937 | > | args_info->end_orig = gengetopt_strdup (optarg); |
938 | > | } |
939 | > | /* g(r). */ |
940 | > | else if (strcmp (long_options[option_index].name, "gofr") == 0) |
941 | > | { |
942 | > | if (local_args_info.gofr_given) |
943 | > | { |
944 | > | fprintf (stderr, "%s: `--gofr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
945 | > | goto failure; |
946 | > | } |
947 | > | if (args_info->gofr_given && ! override) |
948 | > | continue; |
949 | > | local_args_info.gofr_given = 1; |
950 | > | args_info->gofr_given = 1; |
951 | > | if (args_info->staticProps_group_counter && override) |
952 | > | reset_group_staticProps (args_info); |
953 | > | args_info->staticProps_group_counter += 1; |
954 | break; | |
955 | } | |
262 | – | |
956 | /* g(r, cos(theta)). */ | |
957 | else if (strcmp (long_options[option_index].name, "r_theta") == 0) | |
958 | { | |
959 | < | if (args_info->r_theta_given) |
959 | > | if (local_args_info.r_theta_given) |
960 | { | |
961 | < | fprintf (stderr, "%s: `--r_theta' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
962 | < | clear_args (); |
270 | < | exit (EXIT_FAILURE); |
961 | > | fprintf (stderr, "%s: `--r_theta' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
962 | > | goto failure; |
963 | } | |
964 | < | args_info->r_theta_given = 1; staticProps_group_counter += 1; |
965 | < | |
964 | > | if (args_info->r_theta_given && ! override) |
965 | > | continue; |
966 | > | local_args_info.r_theta_given = 1; |
967 | > | args_info->r_theta_given = 1; |
968 | > | if (args_info->staticProps_group_counter && override) |
969 | > | reset_group_staticProps (args_info); |
970 | > | args_info->staticProps_group_counter += 1; |
971 | break; | |
972 | } | |
276 | – | |
973 | /* g(r, cos(omega)). */ | |
974 | else if (strcmp (long_options[option_index].name, "r_omega") == 0) | |
975 | { | |
976 | < | if (args_info->r_omega_given) |
976 | > | if (local_args_info.r_omega_given) |
977 | { | |
978 | < | fprintf (stderr, "%s: `--r_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
979 | < | clear_args (); |
284 | < | exit (EXIT_FAILURE); |
978 | > | fprintf (stderr, "%s: `--r_omega' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
979 | > | goto failure; |
980 | } | |
981 | < | args_info->r_omega_given = 1; staticProps_group_counter += 1; |
982 | < | |
981 | > | if (args_info->r_omega_given && ! override) |
982 | > | continue; |
983 | > | local_args_info.r_omega_given = 1; |
984 | > | args_info->r_omega_given = 1; |
985 | > | if (args_info->staticProps_group_counter && override) |
986 | > | reset_group_staticProps (args_info); |
987 | > | args_info->staticProps_group_counter += 1; |
988 | break; | |
989 | } | |
290 | – | |
990 | /* g(cos(theta), cos(omega)). */ | |
991 | else if (strcmp (long_options[option_index].name, "theta_omega") == 0) | |
992 | { | |
993 | < | if (args_info->theta_omega_given) |
993 | > | if (local_args_info.theta_omega_given) |
994 | { | |
995 | < | fprintf (stderr, "%s: `--theta_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
996 | < | clear_args (); |
298 | < | exit (EXIT_FAILURE); |
995 | > | fprintf (stderr, "%s: `--theta_omega' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
996 | > | goto failure; |
997 | } | |
998 | < | args_info->theta_omega_given = 1; staticProps_group_counter += 1; |
999 | < | |
998 | > | if (args_info->theta_omega_given && ! override) |
999 | > | continue; |
1000 | > | local_args_info.theta_omega_given = 1; |
1001 | > | args_info->theta_omega_given = 1; |
1002 | > | if (args_info->staticProps_group_counter && override) |
1003 | > | reset_group_staticProps (args_info); |
1004 | > | args_info->staticProps_group_counter += 1; |
1005 | break; | |
1006 | } | |
304 | – | |
1007 | /* g(x, y, z). */ | |
1008 | < | else if (strcmp (long_options[option_index].name, "xyz") == 0) |
1008 | > | else if (strcmp (long_options[option_index].name, "gxyz") == 0) |
1009 | { | |
1010 | < | if (args_info->xyz_given) |
1010 | > | if (local_args_info.gxyz_given) |
1011 | { | |
1012 | < | fprintf (stderr, "%s: `--xyz' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
1013 | < | clear_args (); |
312 | < | exit (EXIT_FAILURE); |
1012 | > | fprintf (stderr, "%s: `--gxyz' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
1013 | > | goto failure; |
1014 | } | |
1015 | < | args_info->xyz_given = 1; staticProps_group_counter += 1; |
1016 | < | |
1015 | > | if (args_info->gxyz_given && ! override) |
1016 | > | continue; |
1017 | > | local_args_info.gxyz_given = 1; |
1018 | > | args_info->gxyz_given = 1; |
1019 | > | if (args_info->staticProps_group_counter && override) |
1020 | > | reset_group_staticProps (args_info); |
1021 | > | args_info->staticProps_group_counter += 1; |
1022 | break; | |
1023 | } | |
1024 | + | /* p2 order parameter (--sele1 and --sele2 must be specified). */ |
1025 | + | else if (strcmp (long_options[option_index].name, "p2") == 0) |
1026 | + | { |
1027 | + | if (local_args_info.p2_given) |
1028 | + | { |
1029 | + | fprintf (stderr, "%s: `--p2' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
1030 | + | goto failure; |
1031 | + | } |
1032 | + | if (args_info->p2_given && ! override) |
1033 | + | continue; |
1034 | + | local_args_info.p2_given = 1; |
1035 | + | args_info->p2_given = 1; |
1036 | + | if (args_info->staticProps_group_counter && override) |
1037 | + | reset_group_staticProps (args_info); |
1038 | + | args_info->staticProps_group_counter += 1; |
1039 | + | break; |
1040 | + | } |
1041 | + | /* scd order parameter(either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified). */ |
1042 | + | else if (strcmp (long_options[option_index].name, "scd") == 0) |
1043 | + | { |
1044 | + | if (local_args_info.scd_given) |
1045 | + | { |
1046 | + | fprintf (stderr, "%s: `--scd' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
1047 | + | goto failure; |
1048 | + | } |
1049 | + | if (args_info->scd_given && ! override) |
1050 | + | continue; |
1051 | + | local_args_info.scd_given = 1; |
1052 | + | args_info->scd_given = 1; |
1053 | + | if (args_info->staticProps_group_counter && override) |
1054 | + | reset_group_staticProps (args_info); |
1055 | + | args_info->staticProps_group_counter += 1; |
1056 | + | break; |
1057 | + | } |
1058 | + | /* density plot (--sele1 must be specified). */ |
1059 | + | else if (strcmp (long_options[option_index].name, "density") == 0) |
1060 | + | { |
1061 | + | if (local_args_info.density_given) |
1062 | + | { |
1063 | + | fprintf (stderr, "%s: `--density' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
1064 | + | goto failure; |
1065 | + | } |
1066 | + | if (args_info->density_given && ! override) |
1067 | + | continue; |
1068 | + | local_args_info.density_given = 1; |
1069 | + | args_info->density_given = 1; |
1070 | + | if (args_info->staticProps_group_counter && override) |
1071 | + | reset_group_staticProps (args_info); |
1072 | + | args_info->staticProps_group_counter += 1; |
1073 | + | break; |
1074 | + | } |
1075 | + | /* slab density (--sele1 must be specified). */ |
1076 | + | else if (strcmp (long_options[option_index].name, "slab_density") == 0) |
1077 | + | { |
1078 | + | if (local_args_info.slab_density_given) |
1079 | + | { |
1080 | + | fprintf (stderr, "%s: `--slab_density' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
1081 | + | goto failure; |
1082 | + | } |
1083 | + | if (args_info->slab_density_given && ! override) |
1084 | + | continue; |
1085 | + | local_args_info.slab_density_given = 1; |
1086 | + | args_info->slab_density_given = 1; |
1087 | + | if (args_info->staticProps_group_counter && override) |
1088 | + | reset_group_staticProps (args_info); |
1089 | + | args_info->staticProps_group_counter += 1; |
1090 | + | break; |
1091 | + | } |
1092 | + | /* hxy (--sele1 must be specified). */ |
1093 | + | else if (strcmp (long_options[option_index].name, "hxy") == 0) |
1094 | + | { |
1095 | + | if (local_args_info.hxy_given) |
1096 | + | { |
1097 | + | fprintf (stderr, "%s: `--hxy' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
1098 | + | goto failure; |
1099 | + | } |
1100 | + | if (args_info->hxy_given && ! override) |
1101 | + | continue; |
1102 | + | local_args_info.hxy_given = 1; |
1103 | + | args_info->hxy_given = 1; |
1104 | + | if (args_info->staticProps_group_counter && override) |
1105 | + | reset_group_staticProps (args_info); |
1106 | + | args_info->staticProps_group_counter += 1; |
1107 | + | break; |
1108 | + | } |
1109 | ||
1110 | < | |
1110 | > | break; |
1111 | case '?': /* Invalid option. */ | |
1112 | /* `getopt_long' already printed an error message. */ | |
1113 | < | exit (EXIT_FAILURE); |
1113 | > | goto failure; |
1114 | ||
1115 | default: /* bug: option not considered. */ | |
1116 | < | fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c); |
1116 | > | fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : "")); |
1117 | abort (); | |
1118 | } /* switch */ | |
1119 | } /* while */ | |
1120 | ||
1121 | < | if ( staticProps_group_counter != 1) |
1121 | > | if (args_info->staticProps_group_counter > 1) |
1122 | { | |
1123 | < | fprintf (stderr, "%s: %d options of group staticProps were given. One is required\n", CMDLINE_PARSER_PACKAGE, staticProps_group_counter); |
1124 | < | missing_required_options = 1; |
1123 | > | 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 : "")); |
1124 | > | error = 1; |
1125 | } | |
1126 | ||
1127 | ||
1128 | < | if (! args_info->input_given) |
1128 | > | |
1129 | > | if (check_required) |
1130 | { | |
1131 | < | fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE); |
340 | < | missing_required_options = 1; |
1131 | > | error += cmdline_parser_required2 (args_info, argv[0], additional_error); |
1132 | } | |
342 | – | if ( missing_required_options ) |
343 | – | exit (EXIT_FAILURE); |
1133 | ||
1134 | + | cmdline_parser_release (&local_args_info); |
1135 | + | |
1136 | + | if ( error ) |
1137 | + | return (EXIT_FAILURE); |
1138 | + | |
1139 | return 0; | |
1140 | + | |
1141 | + | failure: |
1142 | + | |
1143 | + | cmdline_parser_release (&local_args_info); |
1144 | + | return (EXIT_FAILURE); |
1145 | } |
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