ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE-4/src/applications/dump2Xyz/Dump2XYZCmd.c
(Generate patch)

Comparing trunk/OOPSE-4/src/applications/dump2Xyz/Dump2XYZCmd.c (file contents):
Revision 2097 by tim, Wed Mar 9 17:30:29 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 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("  -s, --selection=selection script   general selection syntax(now only support \n                                       select atoms within a specified range)\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");
52    printf("      --repeatX=INT                  The number of images to repeat in the x \n                                       direction  (default=`0')\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 ;
# Line 99 | Line 101 | cmdline_parser (int argc, char * const *argv, struct g
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; \
# 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 's':       /* general selection syntax(now only support select atoms within a specified range).  */
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              {
265                fprintf (stderr, "%s: `--selection' (`-s') option given more than once\n", CMDLINE_PARSER_PACKAGE);

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines