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root/OpenMD/trunk/src/applications/dump2Xyz/Dump2XYZCmd.c
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Comparing trunk/src/applications/dump2Xyz/Dump2XYZCmd.c (file contents):
Revision 291 by tim, Fri Feb 4 22:43:54 2005 UTC vs.
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC

# Line 1 | Line 1
1   /*
2    File autogenerated by gengetopt version 2.11
3    generated with the following command:
4 <  gengetopt -i Dump2XYZ.ggo
4 >  /home/maul/gezelter/tim/bin/gengetopt -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:
# Line 33 | Line 33 | cmdline_parser_print_help (void)
33   {
34    cmdline_parser_print_version ();
35    printf("\n"
36 <  "Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE);
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 \n                                      molecules  (default=off)\n");
47 <  printf("  -r, --rigidbody                   add a pseudo COM atom to rigidbody  \n                                      (default=off)\n");
48 <  printf("  -t, --watertype                   replace the atom type of water model  \n                                      (default=on)\n");
49 <  printf("  -g, --ignore=atomtype             ignore the atom types\n");
50 <  printf("  -s, --selection=selection script  general selection syntax(now only support \n                                      select atoms within a specified range)\n");
51 <  printf("      --repeatX=INT                 The number of images to repeat in the x \n                                      direction  (default=`0')\n");
52 <  printf("      --repeatY=INT                 The number of images to repeat in the y \n                                      direction  (default=`0')\n");
53 <  printf("      --repeatZ=INT                 The number of images to repeat in the z \n                                      direction  (default=`0')\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("  -w, --water                        skip the the waters  (default=off)\n");
44 >  printf("  -m, --periodicBox                  map to the periodic box  (default=off)\n");
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("  -s, --selection=selection script   general selection syntax\n");
49 >  printf("      --originsele=selection script  select origin\n");
50 >  printf("      --refsele=selection script     select reference\n");
51 >  printf("      --repeatX=INT                  The number of images to repeat in the x \n                                       direction  (default=`0')\n");
52 >  printf("      --repeatY=INT                  The number of images to repeat in the y \n                                       direction  (default=`0')\n");
53 >  printf("      --repeatZ=INT                  The number of images to repeat in the z \n                                       direction  (default=`0')\n");
54   }
55  
56  
# Line 72 | Line 72 | cmdline_parser (int argc, char * const *argv, struct g
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 –  
75    int missing_required_options = 0;
76  
77    args_info->help_given = 0 ;
# Line 87 | Line 79 | cmdline_parser (int argc, char * const *argv, struct g
79    args_info->input_given = 0 ;
80    args_info->output_given = 0 ;
81    args_info->frame_given = 0 ;
90 –  args_info->dipole_given = 0 ;
82    args_info->water_given = 0 ;
83    args_info->periodicBox_given = 0 ;
84    args_info->zconstraint_given = 0 ;
85    args_info->rigidbody_given = 0 ;
86    args_info->watertype_given = 0 ;
96 –  args_info->ignore_given = 0 ;
87    args_info->selection_given = 0 ;
88 +  args_info->originsele_given = 0 ;
89 +  args_info->refsele_given = 0 ;
90    args_info->repeatX_given = 0 ;
91    args_info->repeatY_given = 0 ;
92    args_info->repeatZ_given = 0 ;
93 < #define clear_args() { \
94 <  args_info->input_arg = NULL; \
95 <  args_info->output_arg = NULL; \
96 <  args_info->frame_arg = 1 ;\
97 <  args_info->dipole_flag = 0;\
98 <  args_info->water_flag = 0;\
99 <  args_info->periodicBox_flag = 0;\
100 <  args_info->zconstraint_flag = 0;\
101 <  args_info->rigidbody_flag = 0;\
102 <  args_info->watertype_flag = 1;\
103 <  args_info->ignore_arg = NULL; \
104 <  args_info->selection_arg = NULL; \
105 <  args_info->repeatX_arg = 0 ;\
106 <  args_info->repeatY_arg = 0 ;\
107 <  args_info->repeatZ_arg = 0 ;\
108 < }
93 > #define clear_args() {                          \
94 >    args_info->input_arg = NULL;                \
95 >    args_info->output_arg = NULL;               \
96 >    args_info->frame_arg = 1 ;                  \
97 >    args_info->water_flag = 0;                  \
98 >    args_info->periodicBox_flag = 0;            \
99 >    args_info->zconstraint_flag = 0;            \
100 >    args_info->rigidbody_flag = 0;              \
101 >    args_info->watertype_flag = 1;              \
102 >    args_info->selection_arg = NULL;            \
103 >    args_info->originsele_arg = NULL;           \
104 >    args_info->refsele_arg = NULL;              \
105 >    args_info->repeatX_arg = 0 ;                \
106 >    args_info->repeatY_arg = 0 ;                \
107 >    args_info->repeatZ_arg = 0 ;                \
108 >  }
109  
110    clear_args();
111  
# Line 133 | Line 125 | cmdline_parser (int argc, char * const *argv, struct g
125          { "input",      1, NULL, 'i' },
126          { "output",     1, NULL, 'o' },
127          { "frame",      1, NULL, 'n' },
136 –        { "dipole",     0, NULL, 'd' },
128          { "water",      0, NULL, 'w' },
129          { "periodicBox",        0, NULL, 'm' },
130          { "zconstraint",        0, NULL, 'z' },
131          { "rigidbody",  0, NULL, 'r' },
132          { "watertype",  0, NULL, 't' },
142 –        { "ignore",     1, NULL, 'g' },
133          { "selection",  1, NULL, 's' },
134 +        { "originsele", 1, NULL, 0 },
135 +        { "refsele",    1, NULL, 0 },
136          { "repeatX",    1, NULL, 0 },
137          { "repeatY",    1, NULL, 0 },
138          { "repeatZ",    1, NULL, 0 },
# Line 148 | Line 140 | cmdline_parser (int argc, char * const *argv, struct g
140        };
141  
142        stop_char = 0;
143 <      c = getopt_long (argc, argv, "hVi:o:n:dwmzrtg:s:", long_options, &option_index);
143 >      c = getopt_long (argc, argv, "hVi:o:n:wmzrts:", long_options, &option_index);
144  
145        if (c == -1) break;       /* Exit from `while (1)' loop.  */
146  
# Line 197 | Line 189 | cmdline_parser (int argc, char * const *argv, struct g
189            args_info->frame_arg = strtol (optarg,&stop_char,0);
190            break;
191  
200 –        case 'd':       /* print the dipole moments.  */
201 –          if (args_info->dipole_given)
202 –            {
203 –              fprintf (stderr, "%s: `--dipole' (`-d') option given more than once\n", CMDLINE_PARSER_PACKAGE);
204 –              clear_args ();
205 –              exit (EXIT_FAILURE);
206 –            }
207 –          args_info->dipole_given = 1;
208 –          args_info->dipole_flag = !(args_info->dipole_flag);
209 –          break;
210 –
192          case 'w':       /* skip the the waters.  */
193            if (args_info->water_given)
194              {
# Line 263 | Line 244 | cmdline_parser (int argc, char * const *argv, struct g
244            args_info->watertype_flag = !(args_info->watertype_flag);
245            break;
246  
247 <        case 'g':       /* ignore the atom types.  */
267 <          args_info->ignore_given++;
268 <          ignore_new = (struct ignore_list *) malloc (sizeof (struct ignore_list));
269 <          ignore_new->next = ignore_list;
270 <          ignore_list = ignore_new;
271 <          ignore_new->ignore_arg = gengetopt_strdup (optarg);
272 <          break;
273 <
274 <        case 's':       /* general selection syntax(now only support select atoms within a specified range).  */
247 >        case 's':       /* general selection syntax.  */
248            if (args_info->selection_given)
249              {
250                fprintf (stderr, "%s: `--selection' (`-s') option given more than once\n", CMDLINE_PARSER_PACKAGE);
# Line 284 | Line 257 | cmdline_parser (int argc, char * const *argv, struct g
257  
258  
259          case 0: /* Long option with no short option */
260 +          /* select origin.  */
261 +          if (strcmp (long_options[option_index].name, "originsele") == 0)
262 +            {
263 +              if (args_info->originsele_given)
264 +                {
265 +                  fprintf (stderr, "%s: `--originsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
266 +                  clear_args ();
267 +                  exit (EXIT_FAILURE);
268 +                }
269 +              args_info->originsele_given = 1;
270 +              args_info->originsele_arg = gengetopt_strdup (optarg);
271 +              break;
272 +            }
273 +          
274 +          /* select reference.  */
275 +          else if (strcmp (long_options[option_index].name, "refsele") == 0)
276 +            {
277 +              if (args_info->refsele_given)
278 +                {
279 +                  fprintf (stderr, "%s: `--refsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
280 +                  clear_args ();
281 +                  exit (EXIT_FAILURE);
282 +                }
283 +              args_info->refsele_given = 1;
284 +              args_info->refsele_arg = gengetopt_strdup (optarg);
285 +              break;
286 +            }
287 +          
288            /* The number of images to repeat in the x direction.  */
289 <          if (strcmp (long_options[option_index].name, "repeatX") == 0)
290 <          {
291 <            if (args_info->repeatX_given)
292 <              {
293 <                fprintf (stderr, "%s: `--repeatX' option given more than once\n", CMDLINE_PARSER_PACKAGE);
294 <                clear_args ();
295 <                exit (EXIT_FAILURE);
296 <              }
297 <            args_info->repeatX_given = 1;
298 <            args_info->repeatX_arg = strtol (optarg,&stop_char,0);
299 <            break;
300 <          }
289 >          else if (strcmp (long_options[option_index].name, "repeatX") == 0)
290 >            {
291 >              if (args_info->repeatX_given)
292 >                {
293 >                  fprintf (stderr, "%s: `--repeatX' option given more than once\n", CMDLINE_PARSER_PACKAGE);
294 >                  clear_args ();
295 >                  exit (EXIT_FAILURE);
296 >                }
297 >              args_info->repeatX_given = 1;
298 >              args_info->repeatX_arg = strtol (optarg,&stop_char,0);
299 >              break;
300 >            }
301            
302            /* The number of images to repeat in the y direction.  */
303            else if (strcmp (long_options[option_index].name, "repeatY") == 0)
304 <          {
305 <            if (args_info->repeatY_given)
306 <              {
307 <                fprintf (stderr, "%s: `--repeatY' option given more than once\n", CMDLINE_PARSER_PACKAGE);
308 <                clear_args ();
309 <                exit (EXIT_FAILURE);
310 <              }
311 <            args_info->repeatY_given = 1;
312 <            args_info->repeatY_arg = strtol (optarg,&stop_char,0);
313 <            break;
314 <          }
304 >            {
305 >              if (args_info->repeatY_given)
306 >                {
307 >                  fprintf (stderr, "%s: `--repeatY' option given more than once\n", CMDLINE_PARSER_PACKAGE);
308 >                  clear_args ();
309 >                  exit (EXIT_FAILURE);
310 >                }
311 >              args_info->repeatY_given = 1;
312 >              args_info->repeatY_arg = strtol (optarg,&stop_char,0);
313 >              break;
314 >            }
315            
316            /* The number of images to repeat in the z direction.  */
317            else if (strcmp (long_options[option_index].name, "repeatZ") == 0)
318 <          {
319 <            if (args_info->repeatZ_given)
320 <              {
321 <                fprintf (stderr, "%s: `--repeatZ' option given more than once\n", CMDLINE_PARSER_PACKAGE);
322 <                clear_args ();
323 <                exit (EXIT_FAILURE);
324 <              }
325 <            args_info->repeatZ_given = 1;
326 <            args_info->repeatZ_arg = strtol (optarg,&stop_char,0);
327 <            break;
328 <          }
318 >            {
319 >              if (args_info->repeatZ_given)
320 >                {
321 >                  fprintf (stderr, "%s: `--repeatZ' option given more than once\n", CMDLINE_PARSER_PACKAGE);
322 >                  clear_args ();
323 >                  exit (EXIT_FAILURE);
324 >                }
325 >              args_info->repeatZ_given = 1;
326 >              args_info->repeatZ_arg = strtol (optarg,&stop_char,0);
327 >              break;
328 >            }
329            
330  
331          case '?':       /* Invalid option.  */
# Line 346 | Line 347 | cmdline_parser (int argc, char * const *argv, struct g
347    if ( missing_required_options )
348      exit (EXIT_FAILURE);
349  
349 –  if (args_info->ignore_given)
350 –    {
351 –      args_info->ignore_arg = (char * *) malloc (args_info->ignore_given * sizeof (char *));
352 –      for (i = 0; i < args_info->ignore_given; i++)
353 –        {
354 –          args_info->ignore_arg [i] = ignore_list->ignore_arg;
355 –          ignore_list = ignore_list->next;
356 –        }
357 –    }
358 –  
350    return 0;
351   }

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