1 |
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/* |
2 |
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File autogenerated by gengetopt version 2.11 |
3 |
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generated with the following command: |
4 |
< |
/home/maul/gezelter/tim/bin/gengetopt -F StaticPropsCmd |
4 |
> |
/home/maul/gezelter/tim/bin/gengetopt -i StaticProps.ggo -F StaticPropsCmd |
5 |
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|
6 |
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The developers of gengetopt consider the fixed text that goes in all |
7 |
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gengetopt output files to be in the public domain: |
33 |
|
{ |
34 |
|
cmdline_parser_print_version (); |
35 |
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printf("\n" |
36 |
< |
"Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE); |
36 |
> |
"Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE); |
37 |
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printf("\n"); |
38 |
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printf(" -h, --help Print help and exit\n"); |
39 |
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printf(" -V, --version Print version and exit\n"); |
43 |
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printf(" -r, --nrbins=INT number of bins for distance (default=`100')\n"); |
44 |
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printf(" -a, --nanglebins=INT number of bins for cos(angle) (default=\n `50')\n"); |
45 |
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printf(" -l, --length=DOUBLE maximum length (Defaults to 1/2 smallest \n length of first frame)\n"); |
46 |
< |
printf(" --sele1=selection script select first stuntdouble set\n"); |
47 |
< |
printf(" --sele2=selection script select second stuntdouble set\n"); |
46 |
> |
printf(" --sele1=selection script select the first stuntdouble set\n"); |
47 |
> |
printf(" --sele2=selection script select the second stuntdouble set\n"); |
48 |
> |
printf(" --sele3=selection script select the third stuntdouble set\n"); |
49 |
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printf(" --refsele=selection script select reference (use and only use with \n --gxyz)\n"); |
50 |
+ |
printf(" --molname=STRING molecule name\n"); |
51 |
+ |
printf(" --begin=INT begin interanl index\n"); |
52 |
+ |
printf(" --end=INT end internal index\n"); |
53 |
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printf("\n"); |
54 |
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printf(" Group: staticProps an option of this group is required\n"); |
55 |
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printf(" --gofr g(r)\n"); |
57 |
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printf(" --r_omega g(r, cos(omega))\n"); |
58 |
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printf(" --theta_omega g(cos(theta), cos(omega))\n"); |
59 |
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printf(" --gxyz g(x, y, z)\n"); |
60 |
+ |
printf(" --p2 p2 order parameter (--sele1 and --sele2 must \n be specified)\n"); |
61 |
+ |
printf(" --scd scd order parameter(either --sele1, --sele2, \n --sele3 are specified or --molname, \n --begin, --end are specified)\n"); |
62 |
+ |
printf(" --density density plot (--sele1 must be specified)\n"); |
63 |
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} |
64 |
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|
65 |
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|
95 |
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args_info->length_given = 0 ; |
96 |
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args_info->sele1_given = 0 ; |
97 |
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args_info->sele2_given = 0 ; |
98 |
+ |
args_info->sele3_given = 0 ; |
99 |
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args_info->refsele_given = 0 ; |
100 |
+ |
args_info->molname_given = 0 ; |
101 |
+ |
args_info->begin_given = 0 ; |
102 |
+ |
args_info->end_given = 0 ; |
103 |
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args_info->gofr_given = 0 ; |
104 |
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args_info->r_theta_given = 0 ; |
105 |
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args_info->r_omega_given = 0 ; |
106 |
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args_info->theta_omega_given = 0 ; |
107 |
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args_info->gxyz_given = 0 ; |
108 |
< |
#define clear_args() { \ |
109 |
< |
args_info->input_arg = NULL; \ |
110 |
< |
args_info->output_arg = NULL; \ |
111 |
< |
args_info->step_arg = 1 ; \ |
112 |
< |
args_info->nrbins_arg = 100 ; \ |
113 |
< |
args_info->nanglebins_arg = 50 ; \ |
114 |
< |
args_info->sele1_arg = NULL; \ |
115 |
< |
args_info->sele2_arg = NULL; \ |
116 |
< |
args_info->refsele_arg = NULL; \ |
117 |
< |
} |
108 |
> |
args_info->p2_given = 0 ; |
109 |
> |
args_info->scd_given = 0 ; |
110 |
> |
args_info->density_given = 0 ; |
111 |
> |
#define clear_args() { \ |
112 |
> |
args_info->input_arg = NULL; \ |
113 |
> |
args_info->output_arg = NULL; \ |
114 |
> |
args_info->step_arg = 1 ;\ |
115 |
> |
args_info->nrbins_arg = 100 ;\ |
116 |
> |
args_info->nanglebins_arg = 50 ;\ |
117 |
> |
args_info->sele1_arg = NULL; \ |
118 |
> |
args_info->sele2_arg = NULL; \ |
119 |
> |
args_info->sele3_arg = NULL; \ |
120 |
> |
args_info->refsele_arg = NULL; \ |
121 |
> |
args_info->molname_arg = NULL; \ |
122 |
> |
} |
123 |
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|
124 |
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clear_args(); |
125 |
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|
144 |
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{ "length", 1, NULL, 'l' }, |
145 |
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{ "sele1", 1, NULL, 0 }, |
146 |
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{ "sele2", 1, NULL, 0 }, |
147 |
+ |
{ "sele3", 1, NULL, 0 }, |
148 |
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{ "refsele", 1, NULL, 0 }, |
149 |
+ |
{ "molname", 1, NULL, 0 }, |
150 |
+ |
{ "begin", 1, NULL, 0 }, |
151 |
+ |
{ "end", 1, NULL, 0 }, |
152 |
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{ "gofr", 0, NULL, 0 }, |
153 |
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{ "r_theta", 0, NULL, 0 }, |
154 |
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{ "r_omega", 0, NULL, 0 }, |
155 |
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{ "theta_omega", 0, NULL, 0 }, |
156 |
|
{ "gxyz", 0, NULL, 0 }, |
157 |
+ |
{ "p2", 0, NULL, 0 }, |
158 |
+ |
{ "scd", 0, NULL, 0 }, |
159 |
+ |
{ "density", 0, NULL, 0 }, |
160 |
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{ NULL, 0, NULL, 0 } |
161 |
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}; |
162 |
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|
245 |
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|
246 |
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|
247 |
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case 0: /* Long option with no short option */ |
248 |
< |
/* select first stuntdouble set. */ |
248 |
> |
/* select the first stuntdouble set. */ |
249 |
|
if (strcmp (long_options[option_index].name, "sele1") == 0) |
250 |
< |
{ |
251 |
< |
if (args_info->sele1_given) |
252 |
< |
{ |
253 |
< |
fprintf (stderr, "%s: `--sele1' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
254 |
< |
clear_args (); |
255 |
< |
exit (EXIT_FAILURE); |
256 |
< |
} |
257 |
< |
args_info->sele1_given = 1; |
258 |
< |
args_info->sele1_arg = gengetopt_strdup (optarg); |
259 |
< |
break; |
260 |
< |
} |
250 |
> |
{ |
251 |
> |
if (args_info->sele1_given) |
252 |
> |
{ |
253 |
> |
fprintf (stderr, "%s: `--sele1' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
254 |
> |
clear_args (); |
255 |
> |
exit (EXIT_FAILURE); |
256 |
> |
} |
257 |
> |
args_info->sele1_given = 1; |
258 |
> |
args_info->sele1_arg = gengetopt_strdup (optarg); |
259 |
> |
break; |
260 |
> |
} |
261 |
|
|
262 |
< |
/* select second stuntdouble set. */ |
262 |
> |
/* select the second stuntdouble set. */ |
263 |
|
else if (strcmp (long_options[option_index].name, "sele2") == 0) |
264 |
< |
{ |
265 |
< |
if (args_info->sele2_given) |
266 |
< |
{ |
267 |
< |
fprintf (stderr, "%s: `--sele2' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
268 |
< |
clear_args (); |
269 |
< |
exit (EXIT_FAILURE); |
270 |
< |
} |
271 |
< |
args_info->sele2_given = 1; |
272 |
< |
args_info->sele2_arg = gengetopt_strdup (optarg); |
273 |
< |
break; |
274 |
< |
} |
264 |
> |
{ |
265 |
> |
if (args_info->sele2_given) |
266 |
> |
{ |
267 |
> |
fprintf (stderr, "%s: `--sele2' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
268 |
> |
clear_args (); |
269 |
> |
exit (EXIT_FAILURE); |
270 |
> |
} |
271 |
> |
args_info->sele2_given = 1; |
272 |
> |
args_info->sele2_arg = gengetopt_strdup (optarg); |
273 |
> |
break; |
274 |
> |
} |
275 |
|
|
276 |
+ |
/* select the third stuntdouble set. */ |
277 |
+ |
else if (strcmp (long_options[option_index].name, "sele3") == 0) |
278 |
+ |
{ |
279 |
+ |
if (args_info->sele3_given) |
280 |
+ |
{ |
281 |
+ |
fprintf (stderr, "%s: `--sele3' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
282 |
+ |
clear_args (); |
283 |
+ |
exit (EXIT_FAILURE); |
284 |
+ |
} |
285 |
+ |
args_info->sele3_given = 1; |
286 |
+ |
args_info->sele3_arg = gengetopt_strdup (optarg); |
287 |
+ |
break; |
288 |
+ |
} |
289 |
+ |
|
290 |
|
/* select reference (use and only use with --gxyz). */ |
291 |
|
else if (strcmp (long_options[option_index].name, "refsele") == 0) |
292 |
< |
{ |
293 |
< |
if (args_info->refsele_given) |
294 |
< |
{ |
295 |
< |
fprintf (stderr, "%s: `--refsele' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
296 |
< |
clear_args (); |
297 |
< |
exit (EXIT_FAILURE); |
298 |
< |
} |
299 |
< |
args_info->refsele_given = 1; |
300 |
< |
args_info->refsele_arg = gengetopt_strdup (optarg); |
301 |
< |
break; |
302 |
< |
} |
292 |
> |
{ |
293 |
> |
if (args_info->refsele_given) |
294 |
> |
{ |
295 |
> |
fprintf (stderr, "%s: `--refsele' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
296 |
> |
clear_args (); |
297 |
> |
exit (EXIT_FAILURE); |
298 |
> |
} |
299 |
> |
args_info->refsele_given = 1; |
300 |
> |
args_info->refsele_arg = gengetopt_strdup (optarg); |
301 |
> |
break; |
302 |
> |
} |
303 |
|
|
304 |
+ |
/* molecule name. */ |
305 |
+ |
else if (strcmp (long_options[option_index].name, "molname") == 0) |
306 |
+ |
{ |
307 |
+ |
if (args_info->molname_given) |
308 |
+ |
{ |
309 |
+ |
fprintf (stderr, "%s: `--molname' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
310 |
+ |
clear_args (); |
311 |
+ |
exit (EXIT_FAILURE); |
312 |
+ |
} |
313 |
+ |
args_info->molname_given = 1; |
314 |
+ |
args_info->molname_arg = gengetopt_strdup (optarg); |
315 |
+ |
break; |
316 |
+ |
} |
317 |
+ |
|
318 |
+ |
/* begin interanl index. */ |
319 |
+ |
else if (strcmp (long_options[option_index].name, "begin") == 0) |
320 |
+ |
{ |
321 |
+ |
if (args_info->begin_given) |
322 |
+ |
{ |
323 |
+ |
fprintf (stderr, "%s: `--begin' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
324 |
+ |
clear_args (); |
325 |
+ |
exit (EXIT_FAILURE); |
326 |
+ |
} |
327 |
+ |
args_info->begin_given = 1; |
328 |
+ |
args_info->begin_arg = strtol (optarg,&stop_char,0); |
329 |
+ |
break; |
330 |
+ |
} |
331 |
+ |
|
332 |
+ |
/* end internal index. */ |
333 |
+ |
else if (strcmp (long_options[option_index].name, "end") == 0) |
334 |
+ |
{ |
335 |
+ |
if (args_info->end_given) |
336 |
+ |
{ |
337 |
+ |
fprintf (stderr, "%s: `--end' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
338 |
+ |
clear_args (); |
339 |
+ |
exit (EXIT_FAILURE); |
340 |
+ |
} |
341 |
+ |
args_info->end_given = 1; |
342 |
+ |
args_info->end_arg = strtol (optarg,&stop_char,0); |
343 |
+ |
break; |
344 |
+ |
} |
345 |
+ |
|
346 |
|
/* g(r). */ |
347 |
|
else if (strcmp (long_options[option_index].name, "gofr") == 0) |
348 |
< |
{ |
349 |
< |
if (args_info->gofr_given) |
350 |
< |
{ |
351 |
< |
fprintf (stderr, "%s: `--gofr' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
352 |
< |
clear_args (); |
353 |
< |
exit (EXIT_FAILURE); |
354 |
< |
} |
355 |
< |
args_info->gofr_given = 1; staticProps_group_counter += 1; |
348 |
> |
{ |
349 |
> |
if (args_info->gofr_given) |
350 |
> |
{ |
351 |
> |
fprintf (stderr, "%s: `--gofr' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
352 |
> |
clear_args (); |
353 |
> |
exit (EXIT_FAILURE); |
354 |
> |
} |
355 |
> |
args_info->gofr_given = 1; staticProps_group_counter += 1; |
356 |
|
|
357 |
< |
break; |
358 |
< |
} |
357 |
> |
break; |
358 |
> |
} |
359 |
|
|
360 |
|
/* g(r, cos(theta)). */ |
361 |
|
else if (strcmp (long_options[option_index].name, "r_theta") == 0) |
362 |
< |
{ |
363 |
< |
if (args_info->r_theta_given) |
364 |
< |
{ |
365 |
< |
fprintf (stderr, "%s: `--r_theta' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
366 |
< |
clear_args (); |
367 |
< |
exit (EXIT_FAILURE); |
368 |
< |
} |
369 |
< |
args_info->r_theta_given = 1; staticProps_group_counter += 1; |
362 |
> |
{ |
363 |
> |
if (args_info->r_theta_given) |
364 |
> |
{ |
365 |
> |
fprintf (stderr, "%s: `--r_theta' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
366 |
> |
clear_args (); |
367 |
> |
exit (EXIT_FAILURE); |
368 |
> |
} |
369 |
> |
args_info->r_theta_given = 1; staticProps_group_counter += 1; |
370 |
|
|
371 |
< |
break; |
372 |
< |
} |
371 |
> |
break; |
372 |
> |
} |
373 |
|
|
374 |
|
/* g(r, cos(omega)). */ |
375 |
|
else if (strcmp (long_options[option_index].name, "r_omega") == 0) |
376 |
< |
{ |
377 |
< |
if (args_info->r_omega_given) |
378 |
< |
{ |
379 |
< |
fprintf (stderr, "%s: `--r_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
380 |
< |
clear_args (); |
381 |
< |
exit (EXIT_FAILURE); |
382 |
< |
} |
383 |
< |
args_info->r_omega_given = 1; staticProps_group_counter += 1; |
376 |
> |
{ |
377 |
> |
if (args_info->r_omega_given) |
378 |
> |
{ |
379 |
> |
fprintf (stderr, "%s: `--r_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
380 |
> |
clear_args (); |
381 |
> |
exit (EXIT_FAILURE); |
382 |
> |
} |
383 |
> |
args_info->r_omega_given = 1; staticProps_group_counter += 1; |
384 |
|
|
385 |
< |
break; |
386 |
< |
} |
385 |
> |
break; |
386 |
> |
} |
387 |
|
|
388 |
|
/* g(cos(theta), cos(omega)). */ |
389 |
|
else if (strcmp (long_options[option_index].name, "theta_omega") == 0) |
390 |
< |
{ |
391 |
< |
if (args_info->theta_omega_given) |
392 |
< |
{ |
393 |
< |
fprintf (stderr, "%s: `--theta_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
394 |
< |
clear_args (); |
395 |
< |
exit (EXIT_FAILURE); |
396 |
< |
} |
397 |
< |
args_info->theta_omega_given = 1; staticProps_group_counter += 1; |
390 |
> |
{ |
391 |
> |
if (args_info->theta_omega_given) |
392 |
> |
{ |
393 |
> |
fprintf (stderr, "%s: `--theta_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
394 |
> |
clear_args (); |
395 |
> |
exit (EXIT_FAILURE); |
396 |
> |
} |
397 |
> |
args_info->theta_omega_given = 1; staticProps_group_counter += 1; |
398 |
|
|
399 |
< |
break; |
400 |
< |
} |
399 |
> |
break; |
400 |
> |
} |
401 |
|
|
402 |
|
/* g(x, y, z). */ |
403 |
|
else if (strcmp (long_options[option_index].name, "gxyz") == 0) |
404 |
< |
{ |
405 |
< |
if (args_info->gxyz_given) |
406 |
< |
{ |
407 |
< |
fprintf (stderr, "%s: `--gxyz' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
408 |
< |
clear_args (); |
409 |
< |
exit (EXIT_FAILURE); |
410 |
< |
} |
411 |
< |
args_info->gxyz_given = 1; staticProps_group_counter += 1; |
404 |
> |
{ |
405 |
> |
if (args_info->gxyz_given) |
406 |
> |
{ |
407 |
> |
fprintf (stderr, "%s: `--gxyz' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
408 |
> |
clear_args (); |
409 |
> |
exit (EXIT_FAILURE); |
410 |
> |
} |
411 |
> |
args_info->gxyz_given = 1; staticProps_group_counter += 1; |
412 |
|
|
413 |
< |
break; |
414 |
< |
} |
413 |
> |
break; |
414 |
> |
} |
415 |
|
|
416 |
+ |
/* p2 order parameter (--sele1 and --sele2 must be specified). */ |
417 |
+ |
else if (strcmp (long_options[option_index].name, "p2") == 0) |
418 |
+ |
{ |
419 |
+ |
if (args_info->p2_given) |
420 |
+ |
{ |
421 |
+ |
fprintf (stderr, "%s: `--p2' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
422 |
+ |
clear_args (); |
423 |
+ |
exit (EXIT_FAILURE); |
424 |
+ |
} |
425 |
+ |
args_info->p2_given = 1; staticProps_group_counter += 1; |
426 |
+ |
|
427 |
+ |
break; |
428 |
+ |
} |
429 |
+ |
|
430 |
+ |
/* scd order parameter(either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified). */ |
431 |
+ |
else if (strcmp (long_options[option_index].name, "scd") == 0) |
432 |
+ |
{ |
433 |
+ |
if (args_info->scd_given) |
434 |
+ |
{ |
435 |
+ |
fprintf (stderr, "%s: `--scd' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
436 |
+ |
clear_args (); |
437 |
+ |
exit (EXIT_FAILURE); |
438 |
+ |
} |
439 |
+ |
args_info->scd_given = 1; staticProps_group_counter += 1; |
440 |
+ |
|
441 |
+ |
break; |
442 |
+ |
} |
443 |
+ |
|
444 |
+ |
/* density plot (--sele1 must be specified). */ |
445 |
+ |
else if (strcmp (long_options[option_index].name, "density") == 0) |
446 |
+ |
{ |
447 |
+ |
if (args_info->density_given) |
448 |
+ |
{ |
449 |
+ |
fprintf (stderr, "%s: `--density' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
450 |
+ |
clear_args (); |
451 |
+ |
exit (EXIT_FAILURE); |
452 |
+ |
} |
453 |
+ |
args_info->density_given = 1; staticProps_group_counter += 1; |
454 |
+ |
|
455 |
+ |
break; |
456 |
+ |
} |
457 |
+ |
|
458 |
|
|
459 |
|
case '?': /* Invalid option. */ |
460 |
|
/* `getopt_long' already printed an error message. */ |