1 |
|
/* |
2 |
|
File autogenerated by gengetopt version 2.11 |
3 |
|
generated with the following command: |
4 |
< |
/home/maul/gezelter/tim/bin/gengetopt -F Dump2XYZCmd |
4 |
> |
/home/maul/gezelter/tim/bin/gengetopt -i Dump2XYZ.ggo -F Dump2XYZCmd |
5 |
|
|
6 |
|
The developers of gengetopt consider the fixed text that goes in all |
7 |
|
gengetopt output files to be in the public domain: |
45 |
|
printf(" -z, --zconstraint replace the atom types of zconstraint \n molecules (default=off)\n"); |
46 |
|
printf(" -r, --rigidbody add a pseudo COM atom to rigidbody \n (default=off)\n"); |
47 |
|
printf(" -t, --watertype replace the atom type of water model \n (default=on)\n"); |
48 |
+ |
printf(" -b, --basetype using base atom type (default=off)\n"); |
49 |
|
printf(" -s, --selection=selection script general selection syntax\n"); |
50 |
|
printf(" --originsele=selection script select origin\n"); |
51 |
|
printf(" --refsele=selection script select reference\n"); |
85 |
|
args_info->zconstraint_given = 0 ; |
86 |
|
args_info->rigidbody_given = 0 ; |
87 |
|
args_info->watertype_given = 0 ; |
88 |
+ |
args_info->basetype_given = 0 ; |
89 |
|
args_info->selection_given = 0 ; |
90 |
|
args_info->originsele_given = 0 ; |
91 |
|
args_info->refsele_given = 0 ; |
101 |
|
args_info->zconstraint_flag = 0;\ |
102 |
|
args_info->rigidbody_flag = 0;\ |
103 |
|
args_info->watertype_flag = 1;\ |
104 |
+ |
args_info->basetype_flag = 0;\ |
105 |
|
args_info->selection_arg = NULL; \ |
106 |
|
args_info->originsele_arg = NULL; \ |
107 |
|
args_info->refsele_arg = NULL; \ |
133 |
|
{ "zconstraint", 0, NULL, 'z' }, |
134 |
|
{ "rigidbody", 0, NULL, 'r' }, |
135 |
|
{ "watertype", 0, NULL, 't' }, |
136 |
+ |
{ "basetype", 0, NULL, 'b' }, |
137 |
|
{ "selection", 1, NULL, 's' }, |
138 |
|
{ "originsele", 1, NULL, 0 }, |
139 |
|
{ "refsele", 1, NULL, 0 }, |
144 |
|
}; |
145 |
|
|
146 |
|
stop_char = 0; |
147 |
< |
c = getopt_long (argc, argv, "hVi:o:n:wmzrts:", long_options, &option_index); |
147 |
> |
c = getopt_long (argc, argv, "hVi:o:n:wmzrtbs:", long_options, &option_index); |
148 |
|
|
149 |
|
if (c == -1) break; /* Exit from `while (1)' loop. */ |
150 |
|
|
248 |
|
args_info->watertype_flag = !(args_info->watertype_flag); |
249 |
|
break; |
250 |
|
|
251 |
+ |
case 'b': /* using base atom type. */ |
252 |
+ |
if (args_info->basetype_given) |
253 |
+ |
{ |
254 |
+ |
fprintf (stderr, "%s: `--basetype' (`-b') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
255 |
+ |
clear_args (); |
256 |
+ |
exit (EXIT_FAILURE); |
257 |
+ |
} |
258 |
+ |
args_info->basetype_given = 1; |
259 |
+ |
args_info->basetype_flag = !(args_info->basetype_flag); |
260 |
+ |
break; |
261 |
+ |
|
262 |
|
case 's': /* general selection syntax. */ |
263 |
|
if (args_info->selection_given) |
264 |
|
{ |