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root/group/trunk/OOPSE/utils/Dump2XYZCmd.c
Revision: 1118
Committed: Mon Apr 19 03:52:27 2004 UTC (20 years, 5 months ago) by tim
Content type: text/plain
File size: 10447 byte(s)
Log Message:
new implement of quickLate using visitor and composite pattern

File Contents

# User Rev Content
1 tim 1118 /*
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=STRING 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(" -r, --replace replace the atom types of zconstraint molecules \n (default=off)\n");
47     printf(" -s, --ignore=atomtype ignore the atom types\n");
48     printf(" --repeatX=INT The number of images to repeat in the x direction \n (default=`0')\n");
49     printf(" --repeatY=INT The number of images to repeat in the y direction \n (default=`0')\n");
50     printf(" --repeatZ=INT The number of images to repeat in the z direction \n (default=`0')\n");
51     }
52    
53    
54     static char *gengetopt_strdup (const char *s);
55    
56     /* gengetopt_strdup() */
57     /* strdup.c replacement of strdup, which is not standard */
58     char *
59     gengetopt_strdup (const char *s)
60     {
61     char *result = (char*)malloc(strlen(s) + 1);
62     if (result == (char*)0)
63     return (char*)0;
64     strcpy(result, s);
65     return result;
66     }
67    
68     int
69     cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
70     {
71     int c; /* Character of the parsed option. */
72     int i; /* Counter */
73     struct ignore_list
74     {
75     char * ignore_arg;
76     struct ignore_list * next;
77     };
78     struct ignore_list * ignore_list = NULL,* ignore_new = NULL;
79    
80     int missing_required_options = 0;
81    
82     args_info->help_given = 0 ;
83     args_info->version_given = 0 ;
84     args_info->input_given = 0 ;
85     args_info->output_given = 0 ;
86     args_info->frame_given = 0 ;
87     args_info->dipole_given = 0 ;
88     args_info->water_given = 0 ;
89     args_info->periodicBox_given = 0 ;
90     args_info->replace_given = 0 ;
91     args_info->ignore_given = 0 ;
92     args_info->repeatX_given = 0 ;
93     args_info->repeatY_given = 0 ;
94     args_info->repeatZ_given = 0 ;
95     #define clear_args() { \
96     args_info->input_arg = NULL; \
97     args_info->output_arg = NULL; \
98     args_info->frame_arg = 1 ;\
99     args_info->dipole_flag = 0;\
100     args_info->water_flag = 0;\
101     args_info->periodicBox_flag = 0;\
102     args_info->replace_flag = 0;\
103     args_info->ignore_arg = NULL; \
104     args_info->repeatX_arg = 0 ;\
105     args_info->repeatY_arg = 0 ;\
106     args_info->repeatZ_arg = 0 ;\
107     }
108    
109     clear_args();
110    
111     optarg = 0;
112     optind = 1;
113     opterr = 1;
114     optopt = '?';
115    
116     while (1)
117     {
118     int option_index = 0;
119     char *stop_char;
120    
121     static struct option long_options[] = {
122     { "help", 0, NULL, 'h' },
123     { "version", 0, NULL, 'V' },
124     { "input", 1, NULL, 'i' },
125     { "output", 1, NULL, 'o' },
126     { "frame", 1, NULL, 'n' },
127     { "dipole", 0, NULL, 'd' },
128     { "water", 0, NULL, 'w' },
129     { "periodicBox", 0, NULL, 'm' },
130     { "replace", 0, NULL, 'r' },
131     { "ignore", 1, NULL, 's' },
132     { "repeatX", 1, NULL, 0 },
133     { "repeatY", 1, NULL, 0 },
134     { "repeatZ", 1, NULL, 0 },
135     { NULL, 0, NULL, 0 }
136     };
137    
138     stop_char = 0;
139     c = getopt_long (argc, argv, "hVi:o:n:dwmrs:", long_options, &option_index);
140    
141     if (c == -1) break; /* Exit from `while (1)' loop. */
142    
143     switch (c)
144     {
145     case 'h': /* Print help and exit. */
146     clear_args ();
147     cmdline_parser_print_help ();
148     exit (EXIT_SUCCESS);
149    
150     case 'V': /* Print version and exit. */
151     clear_args ();
152     cmdline_parser_print_version ();
153     exit (EXIT_SUCCESS);
154    
155     case 'i': /* input dump file. */
156     if (args_info->input_given)
157     {
158     fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE);
159     clear_args ();
160     exit (EXIT_FAILURE);
161     }
162     args_info->input_given = 1;
163     args_info->input_arg = gengetopt_strdup (optarg);
164     break;
165    
166     case 'o': /* output file name. */
167     if (args_info->output_given)
168     {
169     fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE);
170     clear_args ();
171     exit (EXIT_FAILURE);
172     }
173     args_info->output_given = 1;
174     args_info->output_arg = gengetopt_strdup (optarg);
175     break;
176    
177     case 'n': /* print every n frame. */
178     if (args_info->frame_given)
179     {
180     fprintf (stderr, "%s: `--frame' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE);
181     clear_args ();
182     exit (EXIT_FAILURE);
183     }
184     args_info->frame_given = 1;
185     args_info->frame_arg = strtol (optarg,&stop_char,0);
186     break;
187    
188     case 'd': /* print the dipole moments. */
189     if (args_info->dipole_given)
190     {
191     fprintf (stderr, "%s: `--dipole' (`-d') option given more than once\n", CMDLINE_PARSER_PACKAGE);
192     clear_args ();
193     exit (EXIT_FAILURE);
194     }
195     args_info->dipole_given = 1;
196     args_info->dipole_flag = !(args_info->dipole_flag);
197     break;
198    
199     case 'w': /* skip the the waters. */
200     if (args_info->water_given)
201     {
202     fprintf (stderr, "%s: `--water' (`-w') option given more than once\n", CMDLINE_PARSER_PACKAGE);
203     clear_args ();
204     exit (EXIT_FAILURE);
205     }
206     args_info->water_given = 1;
207     args_info->water_flag = !(args_info->water_flag);
208     break;
209    
210     case 'm': /* map to the periodic box. */
211     if (args_info->periodicBox_given)
212     {
213     fprintf (stderr, "%s: `--periodicBox' (`-m') option given more than once\n", CMDLINE_PARSER_PACKAGE);
214     clear_args ();
215     exit (EXIT_FAILURE);
216     }
217     args_info->periodicBox_given = 1;
218     args_info->periodicBox_flag = !(args_info->periodicBox_flag);
219     break;
220    
221     case 'r': /* replace the atom types of zconstraint molecules. */
222     if (args_info->replace_given)
223     {
224     fprintf (stderr, "%s: `--replace' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
225     clear_args ();
226     exit (EXIT_FAILURE);
227     }
228     args_info->replace_given = 1;
229     args_info->replace_flag = !(args_info->replace_flag);
230     break;
231    
232     case 's': /* ignore the atom types. */
233     args_info->ignore_given++;
234     ignore_new = (struct ignore_list *) malloc (sizeof (struct ignore_list));
235     ignore_new->next = ignore_list;
236     ignore_list = ignore_new;
237     ignore_new->ignore_arg = gengetopt_strdup (optarg);
238     break;
239    
240    
241     case 0: /* Long option with no short option */
242     /* The number of images to repeat in the x direction. */
243     if (strcmp (long_options[option_index].name, "repeatX") == 0)
244     {
245     if (args_info->repeatX_given)
246     {
247     fprintf (stderr, "%s: `--repeatX' option given more than once\n", CMDLINE_PARSER_PACKAGE);
248     clear_args ();
249     exit (EXIT_FAILURE);
250     }
251     args_info->repeatX_given = 1;
252     args_info->repeatX_arg = strtol (optarg,&stop_char,0);
253     break;
254     }
255    
256     /* The number of images to repeat in the y direction. */
257     else if (strcmp (long_options[option_index].name, "repeatY") == 0)
258     {
259     if (args_info->repeatY_given)
260     {
261     fprintf (stderr, "%s: `--repeatY' option given more than once\n", CMDLINE_PARSER_PACKAGE);
262     clear_args ();
263     exit (EXIT_FAILURE);
264     }
265     args_info->repeatY_given = 1;
266     args_info->repeatY_arg = strtol (optarg,&stop_char,0);
267     break;
268     }
269    
270     /* The number of images to repeat in the z direction. */
271     else if (strcmp (long_options[option_index].name, "repeatZ") == 0)
272     {
273     if (args_info->repeatZ_given)
274     {
275     fprintf (stderr, "%s: `--repeatZ' option given more than once\n", CMDLINE_PARSER_PACKAGE);
276     clear_args ();
277     exit (EXIT_FAILURE);
278     }
279     args_info->repeatZ_given = 1;
280     args_info->repeatZ_arg = strtol (optarg,&stop_char,0);
281     break;
282     }
283    
284    
285     case '?': /* Invalid option. */
286     /* `getopt_long' already printed an error message. */
287     exit (EXIT_FAILURE);
288    
289     default: /* bug: option not considered. */
290     fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c);
291     abort ();
292     } /* switch */
293     } /* while */
294    
295    
296     if (! args_info->input_given)
297     {
298     fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE);
299     missing_required_options = 1;
300     }
301     if ( missing_required_options )
302     exit (EXIT_FAILURE);
303    
304     if (args_info->ignore_given)
305     {
306     args_info->ignore_arg = (char * *) malloc (args_info->ignore_given * sizeof (char *));
307     for (i = 0; i < args_info->ignore_given; i++)
308     {
309     args_info->ignore_arg [i] = ignore_list->ignore_arg;
310     ignore_list = ignore_list->next;
311     }
312     }
313    
314     return 0;
315     }