1 |
|
/* |
2 |
< |
File autogenerated by gengetopt version 2.16 |
2 |
> |
File autogenerated by gengetopt version 2.14 |
3 |
|
generated with the following command: |
4 |
< |
gengetopt -F DynamicPropsCmd |
4 |
> |
gengetopt -i DynamicProps.ggo -F DynamicPropsCmd |
5 |
|
|
6 |
|
The developers of gengetopt consider the fixed text that goes in all |
7 |
|
gengetopt output files to be in the public domain: |
51 |
|
args_info->lcorr_given = 0 ; |
52 |
|
args_info->r_rcorr_given = 0 ; |
53 |
|
args_info->thetacorr_given = 0 ; |
54 |
– |
args_info->actioncorr_given = 0 ; |
54 |
|
args_info->drcorr_given = 0 ; |
55 |
+ |
args_info->helfandEcorr_given = 0 ; |
56 |
|
args_info->dynamicProps_group_counter = 0 ; |
57 |
|
} |
58 |
|
|
96 |
|
printf("%s\n"," -l, --lcorr Lengendre correlation function"); |
97 |
|
printf("%s\n"," --r_rcorr Radial rmsd"); |
98 |
|
printf("%s\n"," --thetacorr Angular rmsd"); |
99 |
– |
printf("%s\n"," --actioncorr Action correlation function"); |
99 |
|
printf("%s\n"," --drcorr Directional rmsd for particles with unit \n vectors"); |
100 |
+ |
printf("%s\n"," --helfandEcorr Helfand moment for thermal conductvity"); |
101 |
|
|
102 |
|
} |
103 |
|
|
233 |
|
} |
234 |
|
if (args_info->thetacorr_given) { |
235 |
|
fprintf(outfile, "%s\n", "thetacorr"); |
236 |
– |
} |
237 |
– |
if (args_info->actioncorr_given) { |
238 |
– |
fprintf(outfile, "%s\n", "actioncorr"); |
236 |
|
} |
237 |
|
if (args_info->drcorr_given) { |
238 |
|
fprintf(outfile, "%s\n", "drcorr"); |
239 |
|
} |
240 |
+ |
if (args_info->helfandEcorr_given) { |
241 |
+ |
fprintf(outfile, "%s\n", "helfandEcorr"); |
242 |
+ |
} |
243 |
|
|
244 |
|
fclose (outfile); |
245 |
|
|
285 |
|
args_info->lcorr_given = 0 ; |
286 |
|
args_info->r_rcorr_given = 0 ; |
287 |
|
args_info->thetacorr_given = 0 ; |
288 |
– |
args_info->actioncorr_given = 0 ; |
288 |
|
args_info->drcorr_given = 0 ; |
289 |
+ |
args_info->helfandEcorr_given = 0 ; |
290 |
|
|
291 |
|
args_info->dynamicProps_group_counter = 0; |
292 |
|
} |
364 |
|
cmdline_parser_init (&local_args_info); |
365 |
|
|
366 |
|
optarg = 0; |
367 |
< |
optind = 0; |
367 |
> |
optind = 1; |
368 |
|
opterr = 1; |
369 |
|
optopt = '?'; |
370 |
|
|
387 |
|
{ "lcorr", 0, NULL, 'l' }, |
388 |
|
{ "r_rcorr", 0, NULL, 0 }, |
389 |
|
{ "thetacorr", 0, NULL, 0 }, |
390 |
– |
{ "actioncorr", 0, NULL, 0 }, |
390 |
|
{ "drcorr", 0, NULL, 0 }, |
391 |
+ |
{ "helfandEcorr", 0, NULL, 0 }, |
392 |
|
{ NULL, 0, NULL, 0 } |
393 |
|
}; |
394 |
|
|
557 |
|
continue; |
558 |
|
local_args_info.order_given = 1; |
559 |
|
args_info->order_given = 1; |
560 |
< |
args_info->order_arg = strtol (optarg, &stop_char, 0); |
561 |
< |
if (!(stop_char && *stop_char == '\0')) { |
562 |
< |
fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
563 |
< |
goto failure; |
564 |
< |
} |
560 |
> |
args_info->order_arg = strtol (optarg,&stop_char,0); |
561 |
|
if (args_info->order_orig) |
562 |
|
free (args_info->order_orig); /* free previous string */ |
563 |
|
args_info->order_orig = gengetopt_strdup (optarg); |
591 |
|
continue; |
592 |
|
local_args_info.thetacorr_given = 1; |
593 |
|
args_info->thetacorr_given = 1; |
598 |
– |
if (args_info->dynamicProps_group_counter && override) |
599 |
– |
reset_group_dynamicProps (args_info); |
600 |
– |
args_info->dynamicProps_group_counter += 1; |
601 |
– |
break; |
602 |
– |
} |
603 |
– |
/* Action correlation function. */ |
604 |
– |
else if (strcmp (long_options[option_index].name, "actioncorr") == 0) |
605 |
– |
{ |
606 |
– |
if (local_args_info.actioncorr_given) |
607 |
– |
{ |
608 |
– |
fprintf (stderr, "%s: `--actioncorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
609 |
– |
goto failure; |
610 |
– |
} |
611 |
– |
if (args_info->actioncorr_given && ! override) |
612 |
– |
continue; |
613 |
– |
local_args_info.actioncorr_given = 1; |
614 |
– |
args_info->actioncorr_given = 1; |
594 |
|
if (args_info->dynamicProps_group_counter && override) |
595 |
|
reset_group_dynamicProps (args_info); |
596 |
|
args_info->dynamicProps_group_counter += 1; |
613 |
|
args_info->dynamicProps_group_counter += 1; |
614 |
|
break; |
615 |
|
} |
616 |
+ |
/* Helfand moment for thermal conductvity. */ |
617 |
+ |
else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0) |
618 |
+ |
{ |
619 |
+ |
if (local_args_info.helfandEcorr_given) |
620 |
+ |
{ |
621 |
+ |
fprintf (stderr, "%s: `--helfandEcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
622 |
+ |
goto failure; |
623 |
+ |
} |
624 |
+ |
if (args_info->helfandEcorr_given && ! override) |
625 |
+ |
continue; |
626 |
+ |
local_args_info.helfandEcorr_given = 1; |
627 |
+ |
args_info->helfandEcorr_given = 1; |
628 |
+ |
if (args_info->dynamicProps_group_counter && override) |
629 |
+ |
reset_group_dynamicProps (args_info); |
630 |
+ |
args_info->dynamicProps_group_counter += 1; |
631 |
+ |
break; |
632 |
+ |
} |
633 |
|
|
634 |
|
break; |
635 |
|
case '?': /* Invalid option. */ |