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root/group/trunk/OOPSE-4/src/applications/dump2Xyz/Dump2XYZCmd.c
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Comparing trunk/OOPSE-4/src/applications/dump2Xyz/Dump2XYZCmd.c (file contents):
Revision 2204 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 2240 by tim, Thu May 26 22:45:00 2005 UTC

# Line 1 | Line 1
1   /*
2    File autogenerated by gengetopt version 2.11
3    generated with the following command:
4 <  /home/maul/gezelter/tim/bin/gengetopt -F Dump2XYZCmd
4 >  /home/maul/gezelter/tim/bin/gengetopt -i Dump2XYZ.ggo -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");
# Line 45 | Line 45 | cmdline_parser_print_help (void)
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("  -b, --basetype                     using base atom type  (default=off)\n");
49    printf("  -s, --selection=selection script   general selection syntax\n");
50    printf("      --originsele=selection script  select origin\n");
51    printf("      --refsele=selection script     select reference\n");
# Line 84 | Line 85 | cmdline_parser (int argc, char * const *argv, struct g
85    args_info->zconstraint_given = 0 ;
86    args_info->rigidbody_given = 0 ;
87    args_info->watertype_given = 0 ;
88 +  args_info->basetype_given = 0 ;
89    args_info->selection_given = 0 ;
90    args_info->originsele_given = 0 ;
91    args_info->refsele_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->water_flag = 0;                  \
100 <    args_info->periodicBox_flag = 0;            \
101 <    args_info->zconstraint_flag = 0;            \
102 <    args_info->rigidbody_flag = 0;              \
103 <    args_info->watertype_flag = 1;              \
104 <    args_info->selection_arg = NULL;            \
105 <    args_info->originsele_arg = NULL;           \
106 <    args_info->refsele_arg = NULL;              \
107 <    args_info->repeatX_arg = 0 ;                \
108 <    args_info->repeatY_arg = 0 ;                \
109 <    args_info->repeatZ_arg = 0 ;                \
110 <  }
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->water_flag = 0;\
100 >  args_info->periodicBox_flag = 0;\
101 >  args_info->zconstraint_flag = 0;\
102 >  args_info->rigidbody_flag = 0;\
103 >  args_info->watertype_flag = 1;\
104 >  args_info->basetype_flag = 0;\
105 >  args_info->selection_arg = NULL; \
106 >  args_info->originsele_arg = NULL; \
107 >  args_info->refsele_arg = NULL; \
108 >  args_info->repeatX_arg = 0 ;\
109 >  args_info->repeatY_arg = 0 ;\
110 >  args_info->repeatZ_arg = 0 ;\
111 > }
112  
113    clear_args();
114  
# Line 130 | Line 133 | cmdline_parser (int argc, char * const *argv, struct g
133          { "zconstraint",        0, NULL, 'z' },
134          { "rigidbody",  0, NULL, 'r' },
135          { "watertype",  0, NULL, 't' },
136 +        { "basetype",   0, NULL, 'b' },
137          { "selection",  1, NULL, 's' },
138          { "originsele", 1, NULL, 0 },
139          { "refsele",    1, NULL, 0 },
# Line 140 | Line 144 | cmdline_parser (int argc, char * const *argv, struct g
144        };
145  
146        stop_char = 0;
147 <      c = getopt_long (argc, argv, "hVi:o:n:wmzrts:", long_options, &option_index);
147 >      c = getopt_long (argc, argv, "hVi:o:n:wmzrtbs:", long_options, &option_index);
148  
149        if (c == -1) break;       /* Exit from `while (1)' loop.  */
150  
# Line 244 | Line 248 | cmdline_parser (int argc, char * const *argv, struct g
248            args_info->watertype_flag = !(args_info->watertype_flag);
249            break;
250  
251 +        case 'b':       /* using base atom type.  */
252 +          if (args_info->basetype_given)
253 +            {
254 +              fprintf (stderr, "%s: `--basetype' (`-b') option given more than once\n", CMDLINE_PARSER_PACKAGE);
255 +              clear_args ();
256 +              exit (EXIT_FAILURE);
257 +            }
258 +          args_info->basetype_given = 1;
259 +          args_info->basetype_flag = !(args_info->basetype_flag);
260 +          break;
261 +
262          case 's':       /* general selection syntax.  */
263            if (args_info->selection_given)
264              {
# Line 259 | Line 274 | cmdline_parser (int argc, char * const *argv, struct g
274          case 0: /* Long option with no short option */
275            /* select origin.  */
276            if (strcmp (long_options[option_index].name, "originsele") == 0)
277 <            {
278 <              if (args_info->originsele_given)
279 <                {
280 <                  fprintf (stderr, "%s: `--originsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
281 <                  clear_args ();
282 <                  exit (EXIT_FAILURE);
283 <                }
284 <              args_info->originsele_given = 1;
285 <              args_info->originsele_arg = gengetopt_strdup (optarg);
286 <              break;
287 <            }
277 >          {
278 >            if (args_info->originsele_given)
279 >              {
280 >                fprintf (stderr, "%s: `--originsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
281 >                clear_args ();
282 >                exit (EXIT_FAILURE);
283 >              }
284 >            args_info->originsele_given = 1;
285 >            args_info->originsele_arg = gengetopt_strdup (optarg);
286 >            break;
287 >          }
288            
289            /* select reference.  */
290            else if (strcmp (long_options[option_index].name, "refsele") == 0)
291 <            {
292 <              if (args_info->refsele_given)
293 <                {
294 <                  fprintf (stderr, "%s: `--refsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
295 <                  clear_args ();
296 <                  exit (EXIT_FAILURE);
297 <                }
298 <              args_info->refsele_given = 1;
299 <              args_info->refsele_arg = gengetopt_strdup (optarg);
300 <              break;
301 <            }
291 >          {
292 >            if (args_info->refsele_given)
293 >              {
294 >                fprintf (stderr, "%s: `--refsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
295 >                clear_args ();
296 >                exit (EXIT_FAILURE);
297 >              }
298 >            args_info->refsele_given = 1;
299 >            args_info->refsele_arg = gengetopt_strdup (optarg);
300 >            break;
301 >          }
302            
303            /* The number of images to repeat in the x direction.  */
304            else if (strcmp (long_options[option_index].name, "repeatX") == 0)
305 <            {
306 <              if (args_info->repeatX_given)
307 <                {
308 <                  fprintf (stderr, "%s: `--repeatX' option given more than once\n", CMDLINE_PARSER_PACKAGE);
309 <                  clear_args ();
310 <                  exit (EXIT_FAILURE);
311 <                }
312 <              args_info->repeatX_given = 1;
313 <              args_info->repeatX_arg = strtol (optarg,&stop_char,0);
314 <              break;
315 <            }
305 >          {
306 >            if (args_info->repeatX_given)
307 >              {
308 >                fprintf (stderr, "%s: `--repeatX' option given more than once\n", CMDLINE_PARSER_PACKAGE);
309 >                clear_args ();
310 >                exit (EXIT_FAILURE);
311 >              }
312 >            args_info->repeatX_given = 1;
313 >            args_info->repeatX_arg = strtol (optarg,&stop_char,0);
314 >            break;
315 >          }
316            
317            /* The number of images to repeat in the y direction.  */
318            else if (strcmp (long_options[option_index].name, "repeatY") == 0)
319 <            {
320 <              if (args_info->repeatY_given)
321 <                {
322 <                  fprintf (stderr, "%s: `--repeatY' option given more than once\n", CMDLINE_PARSER_PACKAGE);
323 <                  clear_args ();
324 <                  exit (EXIT_FAILURE);
325 <                }
326 <              args_info->repeatY_given = 1;
327 <              args_info->repeatY_arg = strtol (optarg,&stop_char,0);
328 <              break;
329 <            }
319 >          {
320 >            if (args_info->repeatY_given)
321 >              {
322 >                fprintf (stderr, "%s: `--repeatY' option given more than once\n", CMDLINE_PARSER_PACKAGE);
323 >                clear_args ();
324 >                exit (EXIT_FAILURE);
325 >              }
326 >            args_info->repeatY_given = 1;
327 >            args_info->repeatY_arg = strtol (optarg,&stop_char,0);
328 >            break;
329 >          }
330            
331            /* The number of images to repeat in the z direction.  */
332            else if (strcmp (long_options[option_index].name, "repeatZ") == 0)
333 <            {
334 <              if (args_info->repeatZ_given)
335 <                {
336 <                  fprintf (stderr, "%s: `--repeatZ' option given more than once\n", CMDLINE_PARSER_PACKAGE);
337 <                  clear_args ();
338 <                  exit (EXIT_FAILURE);
339 <                }
340 <              args_info->repeatZ_given = 1;
341 <              args_info->repeatZ_arg = strtol (optarg,&stop_char,0);
342 <              break;
343 <            }
333 >          {
334 >            if (args_info->repeatZ_given)
335 >              {
336 >                fprintf (stderr, "%s: `--repeatZ' option given more than once\n", CMDLINE_PARSER_PACKAGE);
337 >                clear_args ();
338 >                exit (EXIT_FAILURE);
339 >              }
340 >            args_info->repeatZ_given = 1;
341 >            args_info->repeatZ_arg = strtol (optarg,&stop_char,0);
342 >            break;
343 >          }
344            
345  
346          case '?':       /* Invalid option.  */

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