1 |
gezelter |
1334 |
/* |
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 |
|
|
#include "getopt.h" |
22 |
|
|
|
23 |
|
|
#include "Dump2XYZCmd.h" |
24 |
|
|
|
25 |
|
|
void |
26 |
|
|
cmdline_parser_print_version (void) |
27 |
|
|
{ |
28 |
|
|
printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION); |
29 |
|
|
} |
30 |
|
|
|
31 |
|
|
void |
32 |
|
|
cmdline_parser_print_help (void) |
33 |
|
|
{ |
34 |
|
|
cmdline_parser_print_version (); |
35 |
|
|
printf("\n" |
36 |
|
|
"Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE); |
37 |
|
|
printf("\n"); |
38 |
|
|
printf(" -h, --help Print help and exit\n"); |
39 |
|
|
printf(" -V, --version Print version and exit\n"); |
40 |
|
|
printf(" -i, --input=filename input dump file\n"); |
41 |
|
|
printf(" -o, --output=filename output file name\n"); |
42 |
|
|
printf(" -n, --frame=INT print every n frame (default=`1')\n"); |
43 |
|
|
printf(" -d, --dipole print the dipole moments (default=off)\n"); |
44 |
|
|
printf(" -w, --water skip the the waters (default=off)\n"); |
45 |
|
|
printf(" -m, --periodicBox map to the periodic box (default=off)\n"); |
46 |
|
|
printf(" -z, --zconstraint replace the atom types of zconstraint molecules \n (default=off)\n"); |
47 |
|
|
printf(" -r, --rigidbody add a pseudo COM atom to rigidbody (default=off)\n"); |
48 |
|
|
printf(" -t, --watertype replace the atom type of water model (default=on)\n"); |
49 |
|
|
printf(" -s, --ignore=atomtype ignore the atom types\n"); |
50 |
|
|
printf(" --repeatX=INT The number of images to repeat in the x direction \n (default=`0')\n"); |
51 |
|
|
printf(" --repeatY=INT The number of images to repeat in the y direction \n (default=`0')\n"); |
52 |
|
|
printf(" --repeatZ=INT The number of images to repeat in the z direction \n (default=`0')\n"); |
53 |
|
|
} |
54 |
|
|
|
55 |
|
|
|
56 |
|
|
static char *gengetopt_strdup (const char *s); |
57 |
|
|
|
58 |
|
|
/* gengetopt_strdup() */ |
59 |
|
|
/* strdup.c replacement of strdup, which is not standard */ |
60 |
|
|
char * |
61 |
|
|
gengetopt_strdup (const char *s) |
62 |
|
|
{ |
63 |
|
|
char *result = (char*)malloc(strlen(s) + 1); |
64 |
|
|
if (result == (char*)0) |
65 |
|
|
return (char*)0; |
66 |
|
|
strcpy(result, s); |
67 |
|
|
return result; |
68 |
|
|
} |
69 |
|
|
|
70 |
|
|
int |
71 |
|
|
cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info) |
72 |
|
|
{ |
73 |
|
|
int c; /* Character of the parsed option. */ |
74 |
|
|
int i; /* Counter */ |
75 |
|
|
struct ignore_list |
76 |
|
|
{ |
77 |
|
|
char * ignore_arg; |
78 |
|
|
struct ignore_list * next; |
79 |
|
|
}; |
80 |
|
|
struct ignore_list * ignore_list = NULL,* ignore_new = NULL; |
81 |
|
|
|
82 |
|
|
int missing_required_options = 0; |
83 |
|
|
|
84 |
|
|
args_info->help_given = 0 ; |
85 |
|
|
args_info->version_given = 0 ; |
86 |
|
|
args_info->input_given = 0 ; |
87 |
|
|
args_info->output_given = 0 ; |
88 |
|
|
args_info->frame_given = 0 ; |
89 |
|
|
args_info->dipole_given = 0 ; |
90 |
|
|
args_info->water_given = 0 ; |
91 |
|
|
args_info->periodicBox_given = 0 ; |
92 |
|
|
args_info->zconstraint_given = 0 ; |
93 |
|
|
args_info->rigidbody_given = 0 ; |
94 |
|
|
args_info->watertype_given = 0 ; |
95 |
|
|
args_info->ignore_given = 0 ; |
96 |
|
|
args_info->repeatX_given = 0 ; |
97 |
|
|
args_info->repeatY_given = 0 ; |
98 |
|
|
args_info->repeatZ_given = 0 ; |
99 |
|
|
#define clear_args() { \ |
100 |
|
|
args_info->input_arg = NULL; \ |
101 |
|
|
args_info->output_arg = NULL; \ |
102 |
|
|
args_info->frame_arg = 1 ;\ |
103 |
|
|
args_info->dipole_flag = 0;\ |
104 |
|
|
args_info->water_flag = 0;\ |
105 |
|
|
args_info->periodicBox_flag = 0;\ |
106 |
|
|
args_info->zconstraint_flag = 0;\ |
107 |
|
|
args_info->rigidbody_flag = 0;\ |
108 |
|
|
args_info->watertype_flag = 1;\ |
109 |
|
|
args_info->ignore_arg = NULL; \ |
110 |
|
|
args_info->repeatX_arg = 0 ;\ |
111 |
|
|
args_info->repeatY_arg = 0 ;\ |
112 |
|
|
args_info->repeatZ_arg = 0 ;\ |
113 |
|
|
} |
114 |
|
|
|
115 |
|
|
clear_args(); |
116 |
|
|
|
117 |
|
|
optarg = 0; |
118 |
|
|
optind = 1; |
119 |
|
|
opterr = 1; |
120 |
|
|
optopt = '?'; |
121 |
|
|
|
122 |
|
|
while (1) |
123 |
|
|
{ |
124 |
|
|
int option_index = 0; |
125 |
|
|
char *stop_char; |
126 |
|
|
|
127 |
|
|
static struct option long_options[] = { |
128 |
|
|
{ "help", 0, NULL, 'h' }, |
129 |
|
|
{ "version", 0, NULL, 'V' }, |
130 |
|
|
{ "input", 1, NULL, 'i' }, |
131 |
|
|
{ "output", 1, NULL, 'o' }, |
132 |
|
|
{ "frame", 1, NULL, 'n' }, |
133 |
|
|
{ "dipole", 0, NULL, 'd' }, |
134 |
|
|
{ "water", 0, NULL, 'w' }, |
135 |
|
|
{ "periodicBox", 0, NULL, 'm' }, |
136 |
|
|
{ "zconstraint", 0, NULL, 'z' }, |
137 |
|
|
{ "rigidbody", 0, NULL, 'r' }, |
138 |
|
|
{ "watertype", 0, NULL, 't' }, |
139 |
|
|
{ "ignore", 1, NULL, 's' }, |
140 |
|
|
{ "repeatX", 1, NULL, 0 }, |
141 |
|
|
{ "repeatY", 1, NULL, 0 }, |
142 |
|
|
{ "repeatZ", 1, NULL, 0 }, |
143 |
|
|
{ NULL, 0, NULL, 0 } |
144 |
|
|
}; |
145 |
|
|
|
146 |
|
|
stop_char = 0; |
147 |
|
|
c = getopt_long (argc, argv, "hVi:o:n:dwmzrts:", long_options, &option_index); |
148 |
|
|
|
149 |
|
|
if (c == -1) break; /* Exit from `while (1)' loop. */ |
150 |
|
|
|
151 |
|
|
switch (c) |
152 |
|
|
{ |
153 |
|
|
case 'h': /* Print help and exit. */ |
154 |
|
|
clear_args (); |
155 |
|
|
cmdline_parser_print_help (); |
156 |
|
|
exit (EXIT_SUCCESS); |
157 |
|
|
|
158 |
|
|
case 'V': /* Print version and exit. */ |
159 |
|
|
clear_args (); |
160 |
|
|
cmdline_parser_print_version (); |
161 |
|
|
exit (EXIT_SUCCESS); |
162 |
|
|
|
163 |
|
|
case 'i': /* input dump file. */ |
164 |
|
|
if (args_info->input_given) |
165 |
|
|
{ |
166 |
|
|
fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
167 |
|
|
clear_args (); |
168 |
|
|
exit (EXIT_FAILURE); |
169 |
|
|
} |
170 |
|
|
args_info->input_given = 1; |
171 |
|
|
args_info->input_arg = gengetopt_strdup (optarg); |
172 |
|
|
break; |
173 |
|
|
|
174 |
|
|
case 'o': /* output file name. */ |
175 |
|
|
if (args_info->output_given) |
176 |
|
|
{ |
177 |
|
|
fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
178 |
|
|
clear_args (); |
179 |
|
|
exit (EXIT_FAILURE); |
180 |
|
|
} |
181 |
|
|
args_info->output_given = 1; |
182 |
|
|
args_info->output_arg = gengetopt_strdup (optarg); |
183 |
|
|
break; |
184 |
|
|
|
185 |
|
|
case 'n': /* print every n frame. */ |
186 |
|
|
if (args_info->frame_given) |
187 |
|
|
{ |
188 |
|
|
fprintf (stderr, "%s: `--frame' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
189 |
|
|
clear_args (); |
190 |
|
|
exit (EXIT_FAILURE); |
191 |
|
|
} |
192 |
|
|
args_info->frame_given = 1; |
193 |
|
|
args_info->frame_arg = strtol (optarg,&stop_char,0); |
194 |
|
|
break; |
195 |
|
|
|
196 |
|
|
case 'd': /* print the dipole moments. */ |
197 |
|
|
if (args_info->dipole_given) |
198 |
|
|
{ |
199 |
|
|
fprintf (stderr, "%s: `--dipole' (`-d') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
200 |
|
|
clear_args (); |
201 |
|
|
exit (EXIT_FAILURE); |
202 |
|
|
} |
203 |
|
|
args_info->dipole_given = 1; |
204 |
|
|
args_info->dipole_flag = !(args_info->dipole_flag); |
205 |
|
|
break; |
206 |
|
|
|
207 |
|
|
case 'w': /* skip the the waters. */ |
208 |
|
|
if (args_info->water_given) |
209 |
|
|
{ |
210 |
|
|
fprintf (stderr, "%s: `--water' (`-w') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
211 |
|
|
clear_args (); |
212 |
|
|
exit (EXIT_FAILURE); |
213 |
|
|
} |
214 |
|
|
args_info->water_given = 1; |
215 |
|
|
args_info->water_flag = !(args_info->water_flag); |
216 |
|
|
break; |
217 |
|
|
|
218 |
|
|
case 'm': /* map to the periodic box. */ |
219 |
|
|
if (args_info->periodicBox_given) |
220 |
|
|
{ |
221 |
|
|
fprintf (stderr, "%s: `--periodicBox' (`-m') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
222 |
|
|
clear_args (); |
223 |
|
|
exit (EXIT_FAILURE); |
224 |
|
|
} |
225 |
|
|
args_info->periodicBox_given = 1; |
226 |
|
|
args_info->periodicBox_flag = !(args_info->periodicBox_flag); |
227 |
|
|
break; |
228 |
|
|
|
229 |
|
|
case 'z': /* replace the atom types of zconstraint molecules. */ |
230 |
|
|
if (args_info->zconstraint_given) |
231 |
|
|
{ |
232 |
|
|
fprintf (stderr, "%s: `--zconstraint' (`-z') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
233 |
|
|
clear_args (); |
234 |
|
|
exit (EXIT_FAILURE); |
235 |
|
|
} |
236 |
|
|
args_info->zconstraint_given = 1; |
237 |
|
|
args_info->zconstraint_flag = !(args_info->zconstraint_flag); |
238 |
|
|
break; |
239 |
|
|
|
240 |
|
|
case 'r': /* add a pseudo COM atom to rigidbody. */ |
241 |
|
|
if (args_info->rigidbody_given) |
242 |
|
|
{ |
243 |
|
|
fprintf (stderr, "%s: `--rigidbody' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
244 |
|
|
clear_args (); |
245 |
|
|
exit (EXIT_FAILURE); |
246 |
|
|
} |
247 |
|
|
args_info->rigidbody_given = 1; |
248 |
|
|
args_info->rigidbody_flag = !(args_info->rigidbody_flag); |
249 |
|
|
break; |
250 |
|
|
|
251 |
|
|
case 't': /* replace the atom type of water model. */ |
252 |
|
|
if (args_info->watertype_given) |
253 |
|
|
{ |
254 |
|
|
fprintf (stderr, "%s: `--watertype' (`-t') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
255 |
|
|
clear_args (); |
256 |
|
|
exit (EXIT_FAILURE); |
257 |
|
|
} |
258 |
|
|
args_info->watertype_given = 1; |
259 |
|
|
args_info->watertype_flag = !(args_info->watertype_flag); |
260 |
|
|
break; |
261 |
|
|
|
262 |
|
|
case 's': /* ignore the atom types. */ |
263 |
|
|
args_info->ignore_given++; |
264 |
|
|
ignore_new = (struct ignore_list *) malloc (sizeof (struct ignore_list)); |
265 |
|
|
ignore_new->next = ignore_list; |
266 |
|
|
ignore_list = ignore_new; |
267 |
|
|
ignore_new->ignore_arg = gengetopt_strdup (optarg); |
268 |
|
|
break; |
269 |
|
|
|
270 |
|
|
|
271 |
|
|
case 0: /* Long option with no short option */ |
272 |
|
|
/* The number of images to repeat in the x direction. */ |
273 |
|
|
if (strcmp (long_options[option_index].name, "repeatX") == 0) |
274 |
|
|
{ |
275 |
|
|
if (args_info->repeatX_given) |
276 |
|
|
{ |
277 |
|
|
fprintf (stderr, "%s: `--repeatX' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
278 |
|
|
clear_args (); |
279 |
|
|
exit (EXIT_FAILURE); |
280 |
|
|
} |
281 |
|
|
args_info->repeatX_given = 1; |
282 |
|
|
args_info->repeatX_arg = strtol (optarg,&stop_char,0); |
283 |
|
|
break; |
284 |
|
|
} |
285 |
|
|
|
286 |
|
|
/* The number of images to repeat in the y direction. */ |
287 |
|
|
else if (strcmp (long_options[option_index].name, "repeatY") == 0) |
288 |
|
|
{ |
289 |
|
|
if (args_info->repeatY_given) |
290 |
|
|
{ |
291 |
|
|
fprintf (stderr, "%s: `--repeatY' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
292 |
|
|
clear_args (); |
293 |
|
|
exit (EXIT_FAILURE); |
294 |
|
|
} |
295 |
|
|
args_info->repeatY_given = 1; |
296 |
|
|
args_info->repeatY_arg = strtol (optarg,&stop_char,0); |
297 |
|
|
break; |
298 |
|
|
} |
299 |
|
|
|
300 |
|
|
/* The number of images to repeat in the z direction. */ |
301 |
|
|
else if (strcmp (long_options[option_index].name, "repeatZ") == 0) |
302 |
|
|
{ |
303 |
|
|
if (args_info->repeatZ_given) |
304 |
|
|
{ |
305 |
|
|
fprintf (stderr, "%s: `--repeatZ' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
306 |
|
|
clear_args (); |
307 |
|
|
exit (EXIT_FAILURE); |
308 |
|
|
} |
309 |
|
|
args_info->repeatZ_given = 1; |
310 |
|
|
args_info->repeatZ_arg = strtol (optarg,&stop_char,0); |
311 |
|
|
break; |
312 |
|
|
} |
313 |
|
|
|
314 |
|
|
|
315 |
|
|
case '?': /* Invalid option. */ |
316 |
|
|
/* `getopt_long' already printed an error message. */ |
317 |
|
|
exit (EXIT_FAILURE); |
318 |
|
|
|
319 |
|
|
default: /* bug: option not considered. */ |
320 |
|
|
fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c); |
321 |
|
|
abort (); |
322 |
|
|
} /* switch */ |
323 |
|
|
} /* while */ |
324 |
|
|
|
325 |
|
|
|
326 |
|
|
if (! args_info->input_given) |
327 |
|
|
{ |
328 |
|
|
fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE); |
329 |
|
|
missing_required_options = 1; |
330 |
|
|
} |
331 |
|
|
if ( missing_required_options ) |
332 |
|
|
exit (EXIT_FAILURE); |
333 |
|
|
|
334 |
|
|
if (args_info->ignore_given) |
335 |
|
|
{ |
336 |
|
|
args_info->ignore_arg = (char * *) malloc (args_info->ignore_given * sizeof (char *)); |
337 |
|
|
for (i = 0; i < args_info->ignore_given; i++) |
338 |
|
|
{ |
339 |
|
|
args_info->ignore_arg [i] = ignore_list->ignore_arg; |
340 |
|
|
ignore_list = ignore_list->next; |
341 |
|
|
} |
342 |
|
|
} |
343 |
|
|
|
344 |
|
|
return 0; |
345 |
|
|
} |