| 1 |
|
/* |
| 2 |
|
File autogenerated by gengetopt version 2.15 |
| 3 |
|
generated with the following command: |
| 4 |
< |
gengetopt -i DynamicProps.ggo --file-name=DynamicPropsCmd |
| 4 |
> |
gengetopt -u -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: |
| 50 |
|
args_info->dcorr_given = 0 ; |
| 51 |
|
args_info->lcorr_given = 0 ; |
| 52 |
|
args_info->r_rcorr_given = 0 ; |
| 53 |
+ |
args_info->thetacorr_given = 0 ; |
| 54 |
|
args_info->dynamicProps_group_counter = 0 ; |
| 55 |
|
} |
| 56 |
|
|
| 79 |
|
cmdline_parser_print_help (void) |
| 80 |
|
{ |
| 81 |
|
cmdline_parser_print_version (); |
| 82 |
< |
printf("\nUsage: DynamicProps [OPTIONS]...\n\n"); |
| 82 |
> |
printf("\nUsage: DynamicProps [OPTIONS]... [FILES]...\n\n"); |
| 83 |
|
printf("%s\n"," -h, --help Print help and exit"); |
| 84 |
|
printf("%s\n"," -V, --version Print version and exit"); |
| 85 |
|
printf("%s\n"," -i, --input=filename input dump file"); |
| 93 |
|
printf("%s\n"," -d, --dcorr dipole correlation function"); |
| 94 |
|
printf("%s\n"," -l, --lcorr Lengendre correlation function"); |
| 95 |
|
printf("%s\n"," --r_rcorr Radial rmsd"); |
| 96 |
+ |
printf("%s\n"," --thetacorr Angular rmsd"); |
| 97 |
|
|
| 98 |
|
} |
| 99 |
|
|
| 102 |
|
{ |
| 103 |
|
clear_given (args_info); |
| 104 |
|
clear_args (args_info); |
| 105 |
+ |
|
| 106 |
+ |
args_info->inputs = NULL; |
| 107 |
+ |
args_info->inputs_num = 0; |
| 108 |
|
} |
| 109 |
|
|
| 110 |
|
static void |
| 111 |
|
cmdline_parser_release (struct gengetopt_args_info *args_info) |
| 112 |
|
{ |
| 113 |
|
|
| 114 |
+ |
unsigned int i; |
| 115 |
|
if (args_info->input_arg) |
| 116 |
|
{ |
| 117 |
|
free (args_info->input_arg); /* free previous argument */ |
| 157 |
|
free (args_info->order_orig); /* free previous argument */ |
| 158 |
|
args_info->order_orig = 0; |
| 159 |
|
} |
| 160 |
+ |
|
| 161 |
+ |
for (i = 0; i < args_info->inputs_num; ++i) |
| 162 |
+ |
free (args_info->inputs [i]); |
| 163 |
|
|
| 164 |
+ |
if (args_info->inputs_num) |
| 165 |
+ |
free (args_info->inputs); |
| 166 |
+ |
|
| 167 |
|
clear_given (args_info); |
| 168 |
|
} |
| 169 |
|
|
| 237 |
|
if (args_info->r_rcorr_given) { |
| 238 |
|
fprintf(outfile, "%s\n", "r_rcorr"); |
| 239 |
|
} |
| 240 |
+ |
if (args_info->thetacorr_given) { |
| 241 |
+ |
fprintf(outfile, "%s\n", "thetacorr"); |
| 242 |
+ |
} |
| 243 |
|
|
| 244 |
|
fclose (outfile); |
| 245 |
|
|
| 284 |
|
args_info->dcorr_given = 0 ; |
| 285 |
|
args_info->lcorr_given = 0 ; |
| 286 |
|
args_info->r_rcorr_given = 0 ; |
| 287 |
+ |
args_info->thetacorr_given = 0 ; |
| 288 |
|
|
| 289 |
|
args_info->dynamicProps_group_counter = 0; |
| 290 |
|
} |
| 384 |
|
{ "dcorr", 0, NULL, 'd' }, |
| 385 |
|
{ "lcorr", 0, NULL, 'l' }, |
| 386 |
|
{ "r_rcorr", 0, NULL, 0 }, |
| 387 |
+ |
{ "thetacorr", 0, NULL, 0 }, |
| 388 |
|
{ NULL, 0, NULL, 0 } |
| 389 |
|
}; |
| 390 |
|
|
| 579 |
|
args_info->dynamicProps_group_counter += 1; |
| 580 |
|
break; |
| 581 |
|
} |
| 582 |
+ |
/* Angular rmsd. */ |
| 583 |
+ |
else if (strcmp (long_options[option_index].name, "thetacorr") == 0) |
| 584 |
+ |
{ |
| 585 |
+ |
if (local_args_info.thetacorr_given) |
| 586 |
+ |
{ |
| 587 |
+ |
fprintf (stderr, "%s: `--thetacorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 588 |
+ |
goto failure; |
| 589 |
+ |
} |
| 590 |
+ |
if (args_info->thetacorr_given && ! override) |
| 591 |
+ |
continue; |
| 592 |
+ |
local_args_info.thetacorr_given = 1; |
| 593 |
+ |
args_info->thetacorr_given = 1; |
| 594 |
+ |
if (args_info->dynamicProps_group_counter && override) |
| 595 |
+ |
reset_group_dynamicProps (args_info); |
| 596 |
+ |
args_info->dynamicProps_group_counter += 1; |
| 597 |
+ |
break; |
| 598 |
+ |
} |
| 599 |
|
|
| 600 |
|
break; |
| 601 |
|
case '?': /* Invalid option. */ |
| 626 |
|
if ( error ) |
| 627 |
|
return (EXIT_FAILURE); |
| 628 |
|
|
| 629 |
+ |
if (optind < argc) |
| 630 |
+ |
{ |
| 631 |
+ |
int i = 0 ; |
| 632 |
+ |
|
| 633 |
+ |
args_info->inputs_num = argc - optind ; |
| 634 |
+ |
args_info->inputs = |
| 635 |
+ |
(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ; |
| 636 |
+ |
while (optind < argc) |
| 637 |
+ |
args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind++]) ; |
| 638 |
+ |
} |
| 639 |
+ |
|
| 640 |
|
return 0; |
| 641 |
|
|
| 642 |
|
failure: |