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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 543 by tim, Thu May 26 22:45:00 2005 UTC vs.
Revision 954 by tim, Wed May 10 01:44:48 2006 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 -i Dump2XYZ.ggo -F Dump2XYZCmd
4 >  /home/maul/gezelter/tim/program/gengetopt-2.11/src/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 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");
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 +  printf("      --gb=atomtype                  Replace the Gay-Berne atom with four \n                                       linear atoms\n");
55 +  printf("  -b, --basetype                     Convert to base atom type  (default=off)\n");
56   }
57  
58  
# Line 85 | Line 86 | cmdline_parser (int argc, char * const *argv, struct g
86    args_info->zconstraint_given = 0 ;
87    args_info->rigidbody_given = 0 ;
88    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 +  args_info->gb_given = 0 ;
96 +  args_info->basetype_given = 0 ;
97   #define clear_args() { \
98    args_info->input_arg = NULL; \
99    args_info->output_arg = NULL; \
# Line 101 | Line 103 | cmdline_parser (int argc, char * const *argv, struct g
103    args_info->zconstraint_flag = 0;\
104    args_info->rigidbody_flag = 0;\
105    args_info->watertype_flag = 1;\
104 –  args_info->basetype_flag = 0;\
106    args_info->selection_arg = NULL; \
107    args_info->originsele_arg = NULL; \
108    args_info->refsele_arg = NULL; \
109    args_info->repeatX_arg = 0 ;\
110    args_info->repeatY_arg = 0 ;\
111    args_info->repeatZ_arg = 0 ;\
112 +  args_info->gb_arg = NULL; \
113 +  args_info->basetype_flag = 0;\
114   }
115  
116    clear_args();
# Line 133 | Line 136 | cmdline_parser (int argc, char * const *argv, struct g
136          { "zconstraint",        0, NULL, 'z' },
137          { "rigidbody",  0, NULL, 'r' },
138          { "watertype",  0, NULL, 't' },
136 –        { "basetype",   0, NULL, 'b' },
139          { "selection",  1, NULL, 's' },
140          { "originsele", 1, NULL, 0 },
141          { "refsele",    1, NULL, 0 },
142          { "repeatX",    1, NULL, 0 },
143          { "repeatY",    1, NULL, 0 },
144          { "repeatZ",    1, NULL, 0 },
145 +        { "gb", 1, NULL, 0 },
146 +        { "basetype",   0, NULL, 'b' },
147          { NULL, 0, NULL, 0 }
148        };
149  
150        stop_char = 0;
151 <      c = getopt_long (argc, argv, "hVi:o:n:wmzrtbs:", long_options, &option_index);
151 >      c = getopt_long (argc, argv, "hVi:o:n:wmzrts:b", long_options, &option_index);
152  
153        if (c == -1) break;       /* Exit from `while (1)' loop.  */
154  
# Line 246 | Line 250 | cmdline_parser (int argc, char * const *argv, struct g
250              }
251            args_info->watertype_given = 1;
252            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);
253            break;
254  
255          case 's':       /* general selection syntax.  */
# Line 270 | Line 263 | cmdline_parser (int argc, char * const *argv, struct g
263            args_info->selection_arg = gengetopt_strdup (optarg);
264            break;
265  
266 +        case 'b':       /* Convert to base atom type.  */
267 +          if (args_info->basetype_given)
268 +            {
269 +              fprintf (stderr, "%s: `--basetype' (`-b') option given more than once\n", CMDLINE_PARSER_PACKAGE);
270 +              clear_args ();
271 +              exit (EXIT_FAILURE);
272 +            }
273 +          args_info->basetype_given = 1;
274 +          args_info->basetype_flag = !(args_info->basetype_flag);
275 +          break;
276  
277 +
278          case 0: /* Long option with no short option */
279            /* select origin.  */
280            if (strcmp (long_options[option_index].name, "originsele") == 0)
# Line 342 | Line 346 | cmdline_parser (int argc, char * const *argv, struct g
346              break;
347            }
348            
349 +          /* Replace the Gay-Berne atom with four linear atoms.  */
350 +          else if (strcmp (long_options[option_index].name, "gb") == 0)
351 +          {
352 +            if (args_info->gb_given)
353 +              {
354 +                fprintf (stderr, "%s: `--gb' option given more than once\n", CMDLINE_PARSER_PACKAGE);
355 +                clear_args ();
356 +                exit (EXIT_FAILURE);
357 +              }
358 +            args_info->gb_given = 1;
359 +            args_info->gb_arg = gengetopt_strdup (optarg);
360 +            break;
361 +          }
362 +          
363  
364          case '?':       /* Invalid option.  */
365            /* `getopt_long' already printed an error message.  */

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