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root/group/trunk/OOPSE/utils/Dump2XYZCmd.c
Revision: 1126
Committed: Tue Apr 20 05:39:38 2004 UTC (20 years, 2 months ago) by tim
Content type: text/plain
File size: 11754 byte(s)
Log Message:
DUMP2XYZ 0.99 version

File Contents

# Content
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 #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 }