1 |
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/* |
2 |
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File autogenerated by gengetopt version 2.22 |
3 |
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generated with the following command: |
4 |
< |
gengetopt -F StaticPropsCmd -u |
4 |
> |
gengetopt -F StaticPropsCmd |
5 |
|
|
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: |
23 |
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|
24 |
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const char *gengetopt_args_info_purpose = ""; |
25 |
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|
26 |
< |
const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]... [FILES]..."; |
26 |
> |
const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]..."; |
27 |
|
|
28 |
|
const char *gengetopt_args_info_description = ""; |
29 |
|
|
36 |
|
" -b, --nbins=INT number of bins (general purpose) \n (default=`100')", |
37 |
|
" -x, --nbins_x=INT number of bins in x axis (default=`100')", |
38 |
|
" -y, --nbins_y=INT number of bins in y axis (default=`100')", |
39 |
+ |
" --nbins_z=INT number of bins in z axis (default=`100')", |
40 |
|
" -a, --nanglebins=INT number of bins for cos(angle) (default=`50')", |
40 |
– |
" --length=DOUBLE maximum length (Defaults to 1/2 smallest length \n of first frame)", |
41 |
|
" -c, --rcut=DOUBLE cutoff radius (rcut)", |
42 |
+ |
" --length=DOUBLE maximum length (Defaults to 1/2 smallest length \n of first frame)", |
43 |
+ |
" --zlength=DOUBLE maximum length (Defaults to 1/2 smallest length \n of first frame)", |
44 |
|
" -z, --zoffset=DOUBLE Where to set the zero for the slab_density \n calculation (default=`0')", |
45 |
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" --sele1=selection script select the first stuntdouble set", |
46 |
|
" --sele2=selection script select the second stuntdouble set", |
59 |
|
" --gofz g(z)", |
60 |
|
" --r_theta g(r, cos(theta))", |
61 |
|
" --r_omega g(r, cos(omega))", |
62 |
+ |
" --r_z g(r, z)", |
63 |
|
" --theta_omega g(cos(theta), cos(omega))", |
64 |
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" --gxyz g(x, y, z)", |
65 |
|
" -p, --p2 p2 order parameter (--sele1 and --sele2 must be \n specified)", |
106 |
|
args_info->nbins_given = 0 ; |
107 |
|
args_info->nbins_x_given = 0 ; |
108 |
|
args_info->nbins_y_given = 0 ; |
109 |
+ |
args_info->nbins_z_given = 0 ; |
110 |
|
args_info->nanglebins_given = 0 ; |
107 |
– |
args_info->length_given = 0 ; |
111 |
|
args_info->rcut_given = 0 ; |
112 |
+ |
args_info->length_given = 0 ; |
113 |
+ |
args_info->zlength_given = 0 ; |
114 |
|
args_info->zoffset_given = 0 ; |
115 |
|
args_info->sele1_given = 0 ; |
116 |
|
args_info->sele2_given = 0 ; |
128 |
|
args_info->gofz_given = 0 ; |
129 |
|
args_info->r_theta_given = 0 ; |
130 |
|
args_info->r_omega_given = 0 ; |
131 |
+ |
args_info->r_z_given = 0 ; |
132 |
|
args_info->theta_omega_given = 0 ; |
133 |
|
args_info->gxyz_given = 0 ; |
134 |
|
args_info->p2_given = 0 ; |
158 |
|
args_info->nbins_x_orig = NULL; |
159 |
|
args_info->nbins_y_arg = 100; |
160 |
|
args_info->nbins_y_orig = NULL; |
161 |
+ |
args_info->nbins_z_arg = 100; |
162 |
+ |
args_info->nbins_z_orig = NULL; |
163 |
|
args_info->nanglebins_arg = 50; |
164 |
|
args_info->nanglebins_orig = NULL; |
157 |
– |
args_info->length_orig = NULL; |
165 |
|
args_info->rcut_orig = NULL; |
166 |
+ |
args_info->length_orig = NULL; |
167 |
+ |
args_info->zlength_orig = NULL; |
168 |
|
args_info->zoffset_arg = 0; |
169 |
|
args_info->zoffset_orig = NULL; |
170 |
|
args_info->sele1_arg = NULL; |
198 |
|
args_info->nbins_help = gengetopt_args_info_help[5] ; |
199 |
|
args_info->nbins_x_help = gengetopt_args_info_help[6] ; |
200 |
|
args_info->nbins_y_help = gengetopt_args_info_help[7] ; |
201 |
< |
args_info->nanglebins_help = gengetopt_args_info_help[8] ; |
202 |
< |
args_info->length_help = gengetopt_args_info_help[9] ; |
201 |
> |
args_info->nbins_z_help = gengetopt_args_info_help[8] ; |
202 |
> |
args_info->nanglebins_help = gengetopt_args_info_help[9] ; |
203 |
|
args_info->rcut_help = gengetopt_args_info_help[10] ; |
204 |
< |
args_info->zoffset_help = gengetopt_args_info_help[11] ; |
205 |
< |
args_info->sele1_help = gengetopt_args_info_help[12] ; |
206 |
< |
args_info->sele2_help = gengetopt_args_info_help[13] ; |
207 |
< |
args_info->sele3_help = gengetopt_args_info_help[14] ; |
208 |
< |
args_info->refsele_help = gengetopt_args_info_help[15] ; |
209 |
< |
args_info->comsele_help = gengetopt_args_info_help[16] ; |
210 |
< |
args_info->molname_help = gengetopt_args_info_help[17] ; |
211 |
< |
args_info->begin_help = gengetopt_args_info_help[18] ; |
212 |
< |
args_info->end_help = gengetopt_args_info_help[19] ; |
213 |
< |
args_info->radius_help = gengetopt_args_info_help[20] ; |
214 |
< |
args_info->bo_help = gengetopt_args_info_help[22] ; |
215 |
< |
args_info->bor_help = gengetopt_args_info_help[23] ; |
216 |
< |
args_info->bad_help = gengetopt_args_info_help[24] ; |
217 |
< |
args_info->gofr_help = gengetopt_args_info_help[25] ; |
218 |
< |
args_info->gofz_help = gengetopt_args_info_help[26] ; |
219 |
< |
args_info->r_theta_help = gengetopt_args_info_help[27] ; |
220 |
< |
args_info->r_omega_help = gengetopt_args_info_help[28] ; |
221 |
< |
args_info->theta_omega_help = gengetopt_args_info_help[29] ; |
222 |
< |
args_info->gxyz_help = gengetopt_args_info_help[30] ; |
223 |
< |
args_info->p2_help = gengetopt_args_info_help[31] ; |
224 |
< |
args_info->rp2_help = gengetopt_args_info_help[32] ; |
225 |
< |
args_info->scd_help = gengetopt_args_info_help[33] ; |
226 |
< |
args_info->density_help = gengetopt_args_info_help[34] ; |
227 |
< |
args_info->slab_density_help = gengetopt_args_info_help[35] ; |
228 |
< |
args_info->p_angle_help = gengetopt_args_info_help[36] ; |
229 |
< |
args_info->hxy_help = gengetopt_args_info_help[37] ; |
230 |
< |
args_info->rho_r_help = gengetopt_args_info_help[38] ; |
231 |
< |
args_info->hullvol_help = gengetopt_args_info_help[39] ; |
204 |
> |
args_info->length_help = gengetopt_args_info_help[11] ; |
205 |
> |
args_info->zlength_help = gengetopt_args_info_help[12] ; |
206 |
> |
args_info->zoffset_help = gengetopt_args_info_help[13] ; |
207 |
> |
args_info->sele1_help = gengetopt_args_info_help[14] ; |
208 |
> |
args_info->sele2_help = gengetopt_args_info_help[15] ; |
209 |
> |
args_info->sele3_help = gengetopt_args_info_help[16] ; |
210 |
> |
args_info->refsele_help = gengetopt_args_info_help[17] ; |
211 |
> |
args_info->comsele_help = gengetopt_args_info_help[18] ; |
212 |
> |
args_info->molname_help = gengetopt_args_info_help[19] ; |
213 |
> |
args_info->begin_help = gengetopt_args_info_help[20] ; |
214 |
> |
args_info->end_help = gengetopt_args_info_help[21] ; |
215 |
> |
args_info->radius_help = gengetopt_args_info_help[22] ; |
216 |
> |
args_info->bo_help = gengetopt_args_info_help[24] ; |
217 |
> |
args_info->bor_help = gengetopt_args_info_help[25] ; |
218 |
> |
args_info->bad_help = gengetopt_args_info_help[26] ; |
219 |
> |
args_info->gofr_help = gengetopt_args_info_help[27] ; |
220 |
> |
args_info->gofz_help = gengetopt_args_info_help[28] ; |
221 |
> |
args_info->r_theta_help = gengetopt_args_info_help[29] ; |
222 |
> |
args_info->r_omega_help = gengetopt_args_info_help[30] ; |
223 |
> |
args_info->r_z_help = gengetopt_args_info_help[31] ; |
224 |
> |
args_info->theta_omega_help = gengetopt_args_info_help[32] ; |
225 |
> |
args_info->gxyz_help = gengetopt_args_info_help[33] ; |
226 |
> |
args_info->p2_help = gengetopt_args_info_help[34] ; |
227 |
> |
args_info->rp2_help = gengetopt_args_info_help[35] ; |
228 |
> |
args_info->scd_help = gengetopt_args_info_help[36] ; |
229 |
> |
args_info->density_help = gengetopt_args_info_help[37] ; |
230 |
> |
args_info->slab_density_help = gengetopt_args_info_help[38] ; |
231 |
> |
args_info->p_angle_help = gengetopt_args_info_help[39] ; |
232 |
> |
args_info->hxy_help = gengetopt_args_info_help[40] ; |
233 |
> |
args_info->rho_r_help = gengetopt_args_info_help[41] ; |
234 |
> |
args_info->hullvol_help = gengetopt_args_info_help[42] ; |
235 |
|
|
236 |
|
} |
237 |
|
|
271 |
|
clear_given (args_info); |
272 |
|
clear_args (args_info); |
273 |
|
init_args_info (args_info); |
262 |
– |
|
263 |
– |
args_info->inputs = NULL; |
264 |
– |
args_info->inputs_num = 0; |
274 |
|
} |
275 |
|
|
276 |
|
void |
309 |
|
static void |
310 |
|
cmdline_parser_release (struct gengetopt_args_info *args_info) |
311 |
|
{ |
312 |
< |
unsigned int i; |
312 |
> |
|
313 |
|
free_string_field (&(args_info->input_arg)); |
314 |
|
free_string_field (&(args_info->input_orig)); |
315 |
|
free_string_field (&(args_info->output_arg)); |
318 |
|
free_string_field (&(args_info->nbins_orig)); |
319 |
|
free_string_field (&(args_info->nbins_x_orig)); |
320 |
|
free_string_field (&(args_info->nbins_y_orig)); |
321 |
+ |
free_string_field (&(args_info->nbins_z_orig)); |
322 |
|
free_string_field (&(args_info->nanglebins_orig)); |
313 |
– |
free_string_field (&(args_info->length_orig)); |
323 |
|
free_string_field (&(args_info->rcut_orig)); |
324 |
+ |
free_string_field (&(args_info->length_orig)); |
325 |
+ |
free_string_field (&(args_info->zlength_orig)); |
326 |
|
free_string_field (&(args_info->zoffset_orig)); |
327 |
|
free_string_field (&(args_info->sele1_arg)); |
328 |
|
free_string_field (&(args_info->sele1_orig)); |
341 |
|
free_string_field (&(args_info->radius_orig)); |
342 |
|
|
343 |
|
|
333 |
– |
for (i = 0; i < args_info->inputs_num; ++i) |
334 |
– |
free (args_info->inputs [i]); |
344 |
|
|
336 |
– |
if (args_info->inputs_num) |
337 |
– |
free (args_info->inputs); |
338 |
– |
|
345 |
|
clear_given (args_info); |
346 |
|
} |
347 |
|
|
384 |
|
write_into_file(outfile, "nbins_x", args_info->nbins_x_orig, 0); |
385 |
|
if (args_info->nbins_y_given) |
386 |
|
write_into_file(outfile, "nbins_y", args_info->nbins_y_orig, 0); |
387 |
+ |
if (args_info->nbins_z_given) |
388 |
+ |
write_into_file(outfile, "nbins_z", args_info->nbins_z_orig, 0); |
389 |
|
if (args_info->nanglebins_given) |
390 |
|
write_into_file(outfile, "nanglebins", args_info->nanglebins_orig, 0); |
383 |
– |
if (args_info->length_given) |
384 |
– |
write_into_file(outfile, "length", args_info->length_orig, 0); |
391 |
|
if (args_info->rcut_given) |
392 |
|
write_into_file(outfile, "rcut", args_info->rcut_orig, 0); |
393 |
+ |
if (args_info->length_given) |
394 |
+ |
write_into_file(outfile, "length", args_info->length_orig, 0); |
395 |
+ |
if (args_info->zlength_given) |
396 |
+ |
write_into_file(outfile, "zlength", args_info->zlength_orig, 0); |
397 |
|
if (args_info->zoffset_given) |
398 |
|
write_into_file(outfile, "zoffset", args_info->zoffset_orig, 0); |
399 |
|
if (args_info->sele1_given) |
428 |
|
write_into_file(outfile, "r_theta", 0, 0 ); |
429 |
|
if (args_info->r_omega_given) |
430 |
|
write_into_file(outfile, "r_omega", 0, 0 ); |
431 |
+ |
if (args_info->r_z_given) |
432 |
+ |
write_into_file(outfile, "r_z", 0, 0 ); |
433 |
|
if (args_info->theta_omega_given) |
434 |
|
write_into_file(outfile, "theta_omega", 0, 0 ); |
435 |
|
if (args_info->gxyz_given) |
512 |
|
args_info->gofz_given = 0 ; |
513 |
|
args_info->r_theta_given = 0 ; |
514 |
|
args_info->r_omega_given = 0 ; |
515 |
+ |
args_info->r_z_given = 0 ; |
516 |
|
args_info->theta_omega_given = 0 ; |
517 |
|
args_info->gxyz_given = 0 ; |
518 |
|
args_info->p2_given = 0 ; |
772 |
|
{ "nbins", 1, NULL, 'b' }, |
773 |
|
{ "nbins_x", 1, NULL, 'x' }, |
774 |
|
{ "nbins_y", 1, NULL, 'y' }, |
775 |
+ |
{ "nbins_z", 1, NULL, 0 }, |
776 |
|
{ "nanglebins", 1, NULL, 'a' }, |
763 |
– |
{ "length", 1, NULL, 0 }, |
777 |
|
{ "rcut", 1, NULL, 'c' }, |
778 |
+ |
{ "length", 1, NULL, 0 }, |
779 |
+ |
{ "zlength", 1, NULL, 0 }, |
780 |
|
{ "zoffset", 1, NULL, 'z' }, |
781 |
|
{ "sele1", 1, NULL, 0 }, |
782 |
|
{ "sele2", 1, NULL, 0 }, |
794 |
|
{ "gofz", 0, NULL, 0 }, |
795 |
|
{ "r_theta", 0, NULL, 0 }, |
796 |
|
{ "r_omega", 0, NULL, 0 }, |
797 |
+ |
{ "r_z", 0, NULL, 0 }, |
798 |
|
{ "theta_omega", 0, NULL, 0 }, |
799 |
|
{ "gxyz", 0, NULL, 0 }, |
800 |
|
{ "p2", 0, NULL, 'p' }, |
995 |
|
break; |
996 |
|
|
997 |
|
case 0: /* Long option with no short option */ |
998 |
+ |
/* number of bins in z axis. */ |
999 |
+ |
if (strcmp (long_options[option_index].name, "nbins_z") == 0) |
1000 |
+ |
{ |
1001 |
+ |
|
1002 |
+ |
|
1003 |
+ |
if (update_arg( (void *)&(args_info->nbins_z_arg), |
1004 |
+ |
&(args_info->nbins_z_orig), &(args_info->nbins_z_given), |
1005 |
+ |
&(local_args_info.nbins_z_given), optarg, 0, "100", ARG_INT, |
1006 |
+ |
check_ambiguity, override, 0, 0, |
1007 |
+ |
"nbins_z", '-', |
1008 |
+ |
additional_error)) |
1009 |
+ |
goto failure; |
1010 |
+ |
|
1011 |
+ |
} |
1012 |
|
/* maximum length (Defaults to 1/2 smallest length of first frame). */ |
1013 |
< |
if (strcmp (long_options[option_index].name, "length") == 0) |
1013 |
> |
else if (strcmp (long_options[option_index].name, "length") == 0) |
1014 |
|
{ |
1015 |
|
|
1016 |
|
|
1023 |
|
goto failure; |
1024 |
|
|
1025 |
|
} |
1026 |
+ |
/* maximum length (Defaults to 1/2 smallest length of first frame). */ |
1027 |
+ |
else if (strcmp (long_options[option_index].name, "zlength") == 0) |
1028 |
+ |
{ |
1029 |
+ |
|
1030 |
+ |
|
1031 |
+ |
if (update_arg( (void *)&(args_info->zlength_arg), |
1032 |
+ |
&(args_info->zlength_orig), &(args_info->zlength_given), |
1033 |
+ |
&(local_args_info.zlength_given), optarg, 0, 0, ARG_DOUBLE, |
1034 |
+ |
check_ambiguity, override, 0, 0, |
1035 |
+ |
"zlength", '-', |
1036 |
+ |
additional_error)) |
1037 |
+ |
goto failure; |
1038 |
+ |
|
1039 |
+ |
} |
1040 |
|
/* select the first stuntdouble set. */ |
1041 |
|
else if (strcmp (long_options[option_index].name, "sele1") == 0) |
1042 |
|
{ |
1261 |
|
&(local_args_info.r_omega_given), optarg, 0, 0, ARG_NO, |
1262 |
|
check_ambiguity, override, 0, 0, |
1263 |
|
"r_omega", '-', |
1264 |
+ |
additional_error)) |
1265 |
+ |
goto failure; |
1266 |
+ |
|
1267 |
+ |
} |
1268 |
+ |
/* g(r, z). */ |
1269 |
+ |
else if (strcmp (long_options[option_index].name, "r_z") == 0) |
1270 |
+ |
{ |
1271 |
+ |
|
1272 |
+ |
if (args_info->staticProps_group_counter && override) |
1273 |
+ |
reset_group_staticProps (args_info); |
1274 |
+ |
args_info->staticProps_group_counter += 1; |
1275 |
+ |
|
1276 |
+ |
if (update_arg( 0 , |
1277 |
+ |
0 , &(args_info->r_z_given), |
1278 |
+ |
&(local_args_info.r_z_given), optarg, 0, 0, ARG_NO, |
1279 |
+ |
check_ambiguity, override, 0, 0, |
1280 |
+ |
"r_z", '-', |
1281 |
|
additional_error)) |
1282 |
|
goto failure; |
1283 |
|
|
1448 |
|
if ( error ) |
1449 |
|
return (EXIT_FAILURE); |
1450 |
|
|
1390 |
– |
if (optind < argc) |
1391 |
– |
{ |
1392 |
– |
int i = 0 ; |
1393 |
– |
int found_prog_name = 0; |
1394 |
– |
/* whether program name, i.e., argv[0], is in the remaining args |
1395 |
– |
(this may happen with some implementations of getopt, |
1396 |
– |
but surely not with the one included by gengetopt) */ |
1397 |
– |
|
1398 |
– |
i = optind; |
1399 |
– |
while (i < argc) |
1400 |
– |
if (argv[i++] == argv[0]) { |
1401 |
– |
found_prog_name = 1; |
1402 |
– |
break; |
1403 |
– |
} |
1404 |
– |
i = 0; |
1405 |
– |
|
1406 |
– |
args_info->inputs_num = argc - optind - found_prog_name; |
1407 |
– |
args_info->inputs = |
1408 |
– |
(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ; |
1409 |
– |
while (optind < argc) |
1410 |
– |
if (argv[optind++] != argv[0]) |
1411 |
– |
args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ; |
1412 |
– |
} |
1413 |
– |
|
1451 |
|
return 0; |
1452 |
|
|
1453 |
|
failure: |