1 |
/* |
2 |
File autogenerated by gengetopt version 2.11 |
3 |
generated with the following command: |
4 |
/home/maul/gezelter/tim/program/gengetopt-2.11/src/gengetopt --file-name=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: |
8 |
we make no copyright claims on it. |
9 |
*/ |
10 |
|
11 |
|
12 |
#include <stdio.h> |
13 |
#include <stdlib.h> |
14 |
#include <string.h> |
15 |
|
16 |
/* If we use autoconf. */ |
17 |
#ifdef HAVE_CONFIG_H |
18 |
#include "config.h" |
19 |
#endif |
20 |
|
21 |
|
22 |
#include "getopt.h" |
23 |
|
24 |
#include "applications/dump2Xyz/Dump2XYZCmd.h" |
25 |
|
26 |
void |
27 |
cmdline_parser_print_version (void) |
28 |
{ |
29 |
printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION); |
30 |
} |
31 |
|
32 |
void |
33 |
cmdline_parser_print_help (void) |
34 |
{ |
35 |
cmdline_parser_print_version (); |
36 |
printf("\n" |
37 |
"Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE); |
38 |
printf("\n"); |
39 |
printf(" -h, --help Print help and exit\n"); |
40 |
printf(" -V, --version Print version and exit\n"); |
41 |
printf(" -i, --input=filename input dump file\n"); |
42 |
printf(" -o, --output=filename output file name\n"); |
43 |
printf(" -n, --frame=INT print every n frame (default=`1')\n"); |
44 |
printf(" -d, --dipole print the dipole moments (default=off)\n"); |
45 |
printf(" -w, --water skip the the waters (default=off)\n"); |
46 |
printf(" -m, --periodicBox map to the periodic box (default=off)\n"); |
47 |
printf(" -z, --zconstraint replace the atom types of zconstraint molecules \n (default=off)\n"); |
48 |
printf(" -r, --rigidbody add a pseudo COM atom to rigidbody (default=off)\n"); |
49 |
printf(" -t, --watertype replace the atom type of water model (default=on)\n"); |
50 |
printf(" -s, --ignore=atomtype ignore the atom types\n"); |
51 |
printf(" --repeatX=INT The number of images to repeat in the x direction \n (default=`0')\n"); |
52 |
printf(" --repeatY=INT The number of images to repeat in the y direction \n (default=`0')\n"); |
53 |
printf(" --repeatZ=INT The number of images to repeat in the z direction \n (default=`0')\n"); |
54 |
} |
55 |
|
56 |
|
57 |
static char *gengetopt_strdup (const char *s); |
58 |
|
59 |
/* gengetopt_strdup() */ |
60 |
/* strdup.c replacement of strdup, which is not standard */ |
61 |
char * |
62 |
gengetopt_strdup (const char *s) |
63 |
{ |
64 |
char *result = (char*)malloc(strlen(s) + 1); |
65 |
if (result == (char*)0) |
66 |
return (char*)0; |
67 |
strcpy(result, s); |
68 |
return result; |
69 |
} |
70 |
|
71 |
int |
72 |
cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info) |
73 |
{ |
74 |
int c; /* Character of the parsed option. */ |
75 |
int i; /* Counter */ |
76 |
struct ignore_list |
77 |
{ |
78 |
char * ignore_arg; |
79 |
struct ignore_list * next; |
80 |
}; |
81 |
struct ignore_list * ignore_list = NULL,* ignore_new = NULL; |
82 |
|
83 |
int missing_required_options = 0; |
84 |
|
85 |
args_info->help_given = 0 ; |
86 |
args_info->version_given = 0 ; |
87 |
args_info->input_given = 0 ; |
88 |
args_info->output_given = 0 ; |
89 |
args_info->frame_given = 0 ; |
90 |
args_info->dipole_given = 0 ; |
91 |
args_info->water_given = 0 ; |
92 |
args_info->periodicBox_given = 0 ; |
93 |
args_info->zconstraint_given = 0 ; |
94 |
args_info->rigidbody_given = 0 ; |
95 |
args_info->watertype_given = 0 ; |
96 |
args_info->ignore_given = 0 ; |
97 |
args_info->repeatX_given = 0 ; |
98 |
args_info->repeatY_given = 0 ; |
99 |
args_info->repeatZ_given = 0 ; |
100 |
#define clear_args() { \ |
101 |
args_info->input_arg = NULL; \ |
102 |
args_info->output_arg = NULL; \ |
103 |
args_info->frame_arg = 1 ;\ |
104 |
args_info->dipole_flag = 0;\ |
105 |
args_info->water_flag = 0;\ |
106 |
args_info->periodicBox_flag = 0;\ |
107 |
args_info->zconstraint_flag = 0;\ |
108 |
args_info->rigidbody_flag = 0;\ |
109 |
args_info->watertype_flag = 1;\ |
110 |
args_info->ignore_arg = NULL; \ |
111 |
args_info->repeatX_arg = 0 ;\ |
112 |
args_info->repeatY_arg = 0 ;\ |
113 |
args_info->repeatZ_arg = 0 ;\ |
114 |
} |
115 |
|
116 |
clear_args(); |
117 |
|
118 |
optarg = 0; |
119 |
optind = 1; |
120 |
opterr = 1; |
121 |
optopt = '?'; |
122 |
|
123 |
while (1) |
124 |
{ |
125 |
int option_index = 0; |
126 |
char *stop_char; |
127 |
|
128 |
static struct option long_options[] = { |
129 |
{ "help", 0, NULL, 'h' }, |
130 |
{ "version", 0, NULL, 'V' }, |
131 |
{ "input", 1, NULL, 'i' }, |
132 |
{ "output", 1, NULL, 'o' }, |
133 |
{ "frame", 1, NULL, 'n' }, |
134 |
{ "dipole", 0, NULL, 'd' }, |
135 |
{ "water", 0, NULL, 'w' }, |
136 |
{ "periodicBox", 0, NULL, 'm' }, |
137 |
{ "zconstraint", 0, NULL, 'z' }, |
138 |
{ "rigidbody", 0, NULL, 'r' }, |
139 |
{ "watertype", 0, NULL, 't' }, |
140 |
{ "ignore", 1, NULL, 's' }, |
141 |
{ "repeatX", 1, NULL, 0 }, |
142 |
{ "repeatY", 1, NULL, 0 }, |
143 |
{ "repeatZ", 1, NULL, 0 }, |
144 |
{ NULL, 0, NULL, 0 } |
145 |
}; |
146 |
|
147 |
stop_char = 0; |
148 |
c = getopt_long (argc, argv, "hVi:o:n:dwmzrts:", long_options, &option_index); |
149 |
|
150 |
if (c == -1) break; /* Exit from `while (1)' loop. */ |
151 |
|
152 |
switch (c) |
153 |
{ |
154 |
case 'h': /* Print help and exit. */ |
155 |
clear_args (); |
156 |
cmdline_parser_print_help (); |
157 |
exit (EXIT_SUCCESS); |
158 |
|
159 |
case 'V': /* Print version and exit. */ |
160 |
clear_args (); |
161 |
cmdline_parser_print_version (); |
162 |
exit (EXIT_SUCCESS); |
163 |
|
164 |
case 'i': /* input dump file. */ |
165 |
if (args_info->input_given) |
166 |
{ |
167 |
fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
168 |
clear_args (); |
169 |
exit (EXIT_FAILURE); |
170 |
} |
171 |
args_info->input_given = 1; |
172 |
args_info->input_arg = gengetopt_strdup (optarg); |
173 |
break; |
174 |
|
175 |
case 'o': /* output file name. */ |
176 |
if (args_info->output_given) |
177 |
{ |
178 |
fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
179 |
clear_args (); |
180 |
exit (EXIT_FAILURE); |
181 |
} |
182 |
args_info->output_given = 1; |
183 |
args_info->output_arg = gengetopt_strdup (optarg); |
184 |
break; |
185 |
|
186 |
case 'n': /* print every n frame. */ |
187 |
if (args_info->frame_given) |
188 |
{ |
189 |
fprintf (stderr, "%s: `--frame' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
190 |
clear_args (); |
191 |
exit (EXIT_FAILURE); |
192 |
} |
193 |
args_info->frame_given = 1; |
194 |
args_info->frame_arg = strtol (optarg,&stop_char,0); |
195 |
break; |
196 |
|
197 |
case 'd': /* print the dipole moments. */ |
198 |
if (args_info->dipole_given) |
199 |
{ |
200 |
fprintf (stderr, "%s: `--dipole' (`-d') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
201 |
clear_args (); |
202 |
exit (EXIT_FAILURE); |
203 |
} |
204 |
args_info->dipole_given = 1; |
205 |
args_info->dipole_flag = !(args_info->dipole_flag); |
206 |
break; |
207 |
|
208 |
case 'w': /* skip the the waters. */ |
209 |
if (args_info->water_given) |
210 |
{ |
211 |
fprintf (stderr, "%s: `--water' (`-w') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
212 |
clear_args (); |
213 |
exit (EXIT_FAILURE); |
214 |
} |
215 |
args_info->water_given = 1; |
216 |
args_info->water_flag = !(args_info->water_flag); |
217 |
break; |
218 |
|
219 |
case 'm': /* map to the periodic box. */ |
220 |
if (args_info->periodicBox_given) |
221 |
{ |
222 |
fprintf (stderr, "%s: `--periodicBox' (`-m') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
223 |
clear_args (); |
224 |
exit (EXIT_FAILURE); |
225 |
} |
226 |
args_info->periodicBox_given = 1; |
227 |
args_info->periodicBox_flag = !(args_info->periodicBox_flag); |
228 |
break; |
229 |
|
230 |
case 'z': /* replace the atom types of zconstraint molecules. */ |
231 |
if (args_info->zconstraint_given) |
232 |
{ |
233 |
fprintf (stderr, "%s: `--zconstraint' (`-z') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
234 |
clear_args (); |
235 |
exit (EXIT_FAILURE); |
236 |
} |
237 |
args_info->zconstraint_given = 1; |
238 |
args_info->zconstraint_flag = !(args_info->zconstraint_flag); |
239 |
break; |
240 |
|
241 |
case 'r': /* add a pseudo COM atom to rigidbody. */ |
242 |
if (args_info->rigidbody_given) |
243 |
{ |
244 |
fprintf (stderr, "%s: `--rigidbody' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
245 |
clear_args (); |
246 |
exit (EXIT_FAILURE); |
247 |
} |
248 |
args_info->rigidbody_given = 1; |
249 |
args_info->rigidbody_flag = !(args_info->rigidbody_flag); |
250 |
break; |
251 |
|
252 |
case 't': /* replace the atom type of water model. */ |
253 |
if (args_info->watertype_given) |
254 |
{ |
255 |
fprintf (stderr, "%s: `--watertype' (`-t') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
256 |
clear_args (); |
257 |
exit (EXIT_FAILURE); |
258 |
} |
259 |
args_info->watertype_given = 1; |
260 |
args_info->watertype_flag = !(args_info->watertype_flag); |
261 |
break; |
262 |
|
263 |
case 's': /* ignore the atom types. */ |
264 |
args_info->ignore_given++; |
265 |
ignore_new = (struct ignore_list *) malloc (sizeof (struct ignore_list)); |
266 |
ignore_new->next = ignore_list; |
267 |
ignore_list = ignore_new; |
268 |
ignore_new->ignore_arg = gengetopt_strdup (optarg); |
269 |
break; |
270 |
|
271 |
|
272 |
case 0: /* Long option with no short option */ |
273 |
/* The number of images to repeat in the x direction. */ |
274 |
if (strcmp (long_options[option_index].name, "repeatX") == 0) |
275 |
{ |
276 |
if (args_info->repeatX_given) |
277 |
{ |
278 |
fprintf (stderr, "%s: `--repeatX' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
279 |
clear_args (); |
280 |
exit (EXIT_FAILURE); |
281 |
} |
282 |
args_info->repeatX_given = 1; |
283 |
args_info->repeatX_arg = strtol (optarg,&stop_char,0); |
284 |
break; |
285 |
} |
286 |
|
287 |
/* The number of images to repeat in the y direction. */ |
288 |
else if (strcmp (long_options[option_index].name, "repeatY") == 0) |
289 |
{ |
290 |
if (args_info->repeatY_given) |
291 |
{ |
292 |
fprintf (stderr, "%s: `--repeatY' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
293 |
clear_args (); |
294 |
exit (EXIT_FAILURE); |
295 |
} |
296 |
args_info->repeatY_given = 1; |
297 |
args_info->repeatY_arg = strtol (optarg,&stop_char,0); |
298 |
break; |
299 |
} |
300 |
|
301 |
/* The number of images to repeat in the z direction. */ |
302 |
else if (strcmp (long_options[option_index].name, "repeatZ") == 0) |
303 |
{ |
304 |
if (args_info->repeatZ_given) |
305 |
{ |
306 |
fprintf (stderr, "%s: `--repeatZ' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
307 |
clear_args (); |
308 |
exit (EXIT_FAILURE); |
309 |
} |
310 |
args_info->repeatZ_given = 1; |
311 |
args_info->repeatZ_arg = strtol (optarg,&stop_char,0); |
312 |
break; |
313 |
} |
314 |
|
315 |
|
316 |
case '?': /* Invalid option. */ |
317 |
/* `getopt_long' already printed an error message. */ |
318 |
exit (EXIT_FAILURE); |
319 |
|
320 |
default: /* bug: option not considered. */ |
321 |
fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c); |
322 |
abort (); |
323 |
} /* switch */ |
324 |
} /* while */ |
325 |
|
326 |
|
327 |
if (! args_info->input_given) |
328 |
{ |
329 |
fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE); |
330 |
missing_required_options = 1; |
331 |
} |
332 |
if ( missing_required_options ) |
333 |
exit (EXIT_FAILURE); |
334 |
|
335 |
if (args_info->ignore_given) |
336 |
{ |
337 |
args_info->ignore_arg = (char * *) malloc (args_info->ignore_given * sizeof (char *)); |
338 |
for (i = 0; i < args_info->ignore_given; i++) |
339 |
{ |
340 |
args_info->ignore_arg [i] = ignore_list->ignore_arg; |
341 |
ignore_list = ignore_list->next; |
342 |
} |
343 |
} |
344 |
|
345 |
return 0; |
346 |
} |