1 |
|
/* |
2 |
|
File autogenerated by gengetopt version 2.22.4 |
3 |
|
generated with the following command: |
4 |
< |
gengetopt -F DynamicPropsCmd -u |
4 |
> |
gengetopt --file-name=DynamicPropsCmd --unamed-opts |
5 |
|
|
6 |
|
The developers of gengetopt consider the fixed text that goes in all |
7 |
|
gengetopt output files to be in the public domain: |
21 |
|
#define FIX_UNUSED(X) (void) (X) /* avoid warnings for unused params */ |
22 |
|
#endif |
23 |
|
|
24 |
+ |
#ifdef WIN32 |
25 |
+ |
#include "utils/wingetopt.h" |
26 |
+ |
#else |
27 |
|
#include <getopt.h> |
28 |
+ |
#endif |
29 |
|
|
30 |
|
#include "DynamicPropsCmd.h" |
31 |
|
|
45 |
|
" --order=INT Lengendre Polynomial Order", |
46 |
|
" -m, --memory=memory specification\n Available memory (defaults to 2G) \n (default=`2G')", |
47 |
|
"\n Group: dynamicProps\n an option of this group is required", |
48 |
+ |
" -s, --selecorr selection correlation function", |
49 |
|
" -r, --rcorr rmsd", |
50 |
|
" -v, --vcorr velocity correlation function", |
51 |
|
" -d, --dcorr dipole correlation function", |
52 |
|
" -l, --lcorr Lengendre correlation function", |
53 |
< |
" -s, --sdcorr System dipole correlation function", |
53 |
> |
" -M, --sdcorr System dipole correlation function", |
54 |
|
" --r_rcorr Radial rmsd", |
55 |
|
" --thetacorr Angular rmsd", |
56 |
|
" --drcorr Directional rmsd for particles with unit \n vectors", |
91 |
|
args_info->sele2_given = 0 ; |
92 |
|
args_info->order_given = 0 ; |
93 |
|
args_info->memory_given = 0 ; |
94 |
+ |
args_info->selecorr_given = 0 ; |
95 |
|
args_info->rcorr_given = 0 ; |
96 |
|
args_info->vcorr_given = 0 ; |
97 |
|
args_info->dcorr_given = 0 ; |
137 |
|
args_info->sele2_help = gengetopt_args_info_help[5] ; |
138 |
|
args_info->order_help = gengetopt_args_info_help[6] ; |
139 |
|
args_info->memory_help = gengetopt_args_info_help[7] ; |
140 |
< |
args_info->rcorr_help = gengetopt_args_info_help[9] ; |
141 |
< |
args_info->vcorr_help = gengetopt_args_info_help[10] ; |
142 |
< |
args_info->dcorr_help = gengetopt_args_info_help[11] ; |
143 |
< |
args_info->lcorr_help = gengetopt_args_info_help[12] ; |
144 |
< |
args_info->sdcorr_help = gengetopt_args_info_help[13] ; |
145 |
< |
args_info->r_rcorr_help = gengetopt_args_info_help[14] ; |
146 |
< |
args_info->thetacorr_help = gengetopt_args_info_help[15] ; |
147 |
< |
args_info->drcorr_help = gengetopt_args_info_help[16] ; |
148 |
< |
args_info->helfandEcorr_help = gengetopt_args_info_help[17] ; |
149 |
< |
args_info->momentum_help = gengetopt_args_info_help[18] ; |
150 |
< |
args_info->stresscorr_help = gengetopt_args_info_help[19] ; |
140 |
> |
args_info->selecorr_help = gengetopt_args_info_help[9] ; |
141 |
> |
args_info->rcorr_help = gengetopt_args_info_help[10] ; |
142 |
> |
args_info->vcorr_help = gengetopt_args_info_help[11] ; |
143 |
> |
args_info->dcorr_help = gengetopt_args_info_help[12] ; |
144 |
> |
args_info->lcorr_help = gengetopt_args_info_help[13] ; |
145 |
> |
args_info->sdcorr_help = gengetopt_args_info_help[14] ; |
146 |
> |
args_info->r_rcorr_help = gengetopt_args_info_help[15] ; |
147 |
> |
args_info->thetacorr_help = gengetopt_args_info_help[16] ; |
148 |
> |
args_info->drcorr_help = gengetopt_args_info_help[17] ; |
149 |
> |
args_info->helfandEcorr_help = gengetopt_args_info_help[18] ; |
150 |
> |
args_info->momentum_help = gengetopt_args_info_help[19] ; |
151 |
> |
args_info->stresscorr_help = gengetopt_args_info_help[20] ; |
152 |
|
|
153 |
|
} |
154 |
|
|
294 |
|
write_into_file(outfile, "order", args_info->order_orig, 0); |
295 |
|
if (args_info->memory_given) |
296 |
|
write_into_file(outfile, "memory", args_info->memory_orig, 0); |
297 |
+ |
if (args_info->selecorr_given) |
298 |
+ |
write_into_file(outfile, "selecorr", 0, 0 ); |
299 |
|
if (args_info->rcorr_given) |
300 |
|
write_into_file(outfile, "rcorr", 0, 0 ); |
301 |
|
if (args_info->vcorr_given) |
371 |
|
if (! args_info->dynamicProps_group_counter) |
372 |
|
return; |
373 |
|
|
374 |
+ |
args_info->selecorr_given = 0 ; |
375 |
|
args_info->rcorr_given = 0 ; |
376 |
|
args_info->vcorr_given = 0 ; |
377 |
|
args_info->dcorr_given = 0 ; |
632 |
|
{ "sele2", 1, NULL, 0 }, |
633 |
|
{ "order", 1, NULL, 0 }, |
634 |
|
{ "memory", 1, NULL, 'm' }, |
635 |
+ |
{ "selecorr", 0, NULL, 's' }, |
636 |
|
{ "rcorr", 0, NULL, 'r' }, |
637 |
|
{ "vcorr", 0, NULL, 'v' }, |
638 |
|
{ "dcorr", 0, NULL, 'd' }, |
639 |
|
{ "lcorr", 0, NULL, 'l' }, |
640 |
< |
{ "sdcorr", 0, NULL, 's' }, |
640 |
> |
{ "sdcorr", 0, NULL, 'M' }, |
641 |
|
{ "r_rcorr", 0, NULL, 0 }, |
642 |
|
{ "thetacorr", 0, NULL, 0 }, |
643 |
|
{ "drcorr", 0, NULL, 0 }, |
647 |
|
{ 0, 0, 0, 0 } |
648 |
|
}; |
649 |
|
|
650 |
< |
c = getopt_long (argc, argv, "hVi:o:m:rvdlsp", long_options, &option_index); |
650 |
> |
c = getopt_long (argc, argv, "hVi:o:m:srvdlMp", long_options, &option_index); |
651 |
|
|
652 |
|
if (c == -1) break; /* Exit from `while (1)' loop. */ |
653 |
|
|
699 |
|
goto failure; |
700 |
|
|
701 |
|
break; |
702 |
+ |
case 's': /* selection correlation function. */ |
703 |
+ |
|
704 |
+ |
if (args_info->dynamicProps_group_counter && override) |
705 |
+ |
reset_group_dynamicProps (args_info); |
706 |
+ |
args_info->dynamicProps_group_counter += 1; |
707 |
+ |
|
708 |
+ |
if (update_arg( 0 , |
709 |
+ |
0 , &(args_info->selecorr_given), |
710 |
+ |
&(local_args_info.selecorr_given), optarg, 0, 0, ARG_NO, |
711 |
+ |
check_ambiguity, override, 0, 0, |
712 |
+ |
"selecorr", 's', |
713 |
+ |
additional_error)) |
714 |
+ |
goto failure; |
715 |
+ |
|
716 |
+ |
break; |
717 |
|
case 'r': /* rmsd. */ |
718 |
|
|
719 |
|
if (args_info->dynamicProps_group_counter && override) |
774 |
|
goto failure; |
775 |
|
|
776 |
|
break; |
777 |
< |
case 's': /* System dipole correlation function. */ |
777 |
> |
case 'M': /* System dipole correlation function. */ |
778 |
|
|
779 |
|
if (args_info->dynamicProps_group_counter && override) |
780 |
|
reset_group_dynamicProps (args_info); |
784 |
|
0 , &(args_info->sdcorr_given), |
785 |
|
&(local_args_info.sdcorr_given), optarg, 0, 0, ARG_NO, |
786 |
|
check_ambiguity, override, 0, 0, |
787 |
< |
"sdcorr", 's', |
787 |
> |
"sdcorr", 'M', |
788 |
|
additional_error)) |
789 |
|
goto failure; |
790 |
|
|