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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 1975 by tim, Fri Feb 4 22:43:54 2005 UTC vs.
Revision 1986 by tim, Mon Feb 7 21:11:22 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 47 | Line 47 | cmdline_parser_print_help (void)
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");
50 >  printf("  -s, --selection=selection script  selection syntax:\n"                                      
51 >         "                                    select DMPC -- select DMPC molecule\n"                    
52 >         "                                    select DMPC.* -- select all atoms and all rigidbodies belong to DMPC molecule(same as above)\n"          
53 >         "                                    select not DMPC -- select all atoms and all rigidbodies do not belong to DMPC molecule\n"
54 >         "                                    select C* and 4 to 7 -- select stuntdoubles which match C* and which index is between [4, 7)\n"  
55 >         "                                    select 5 -- select stuntdobule whose global index is 5\n"                                      
56 >         "                                    select within (5.0, HDP or PO4) -- select stuntdoubles which is within 5 A to HDP or PO4\n"
57 >         "                                    select DMPC.DMPC_RB_*.* --select atoms belong to rigid body inside DMPC molecule \n");
58    printf("      --repeatX=INT                 The number of images to repeat in the x \n                                      direction  (default=`0')\n");
59    printf("      --repeatY=INT                 The number of images to repeat in the y \n                                      direction  (default=`0')\n");
60    printf("      --repeatZ=INT                 The number of images to repeat in the z \n                                      direction  (default=`0')\n");
# Line 271 | Line 278 | cmdline_parser (int argc, char * const *argv, struct g
278            ignore_new->ignore_arg = gengetopt_strdup (optarg);
279            break;
280  
281 <        case 's':       /* general selection syntax(now only support select atoms within a specified range).  */
281 >        case 's':       /* general selection syntax:\n
282 > select DMPC -- select DMPC molecule\n \
283 > select DMPC.* -- select all atoms and all rigidbodies belong to DMPC molecule\n \
284 > select 5 -- select stuntdobule whose global index is 5\n \
285 > select within (5.0, HDP or PO4) -- select stuntdoubles which is within 5 A to HDP or PO4\n \
286 > select DMPC.DMPC_RB_*.* --select atoms belong to rigid body inside DMPC molecule .  */
287            if (args_info->selection_given)
288              {
289                fprintf (stderr, "%s: `--selection' (`-s') option given more than once\n", CMDLINE_PARSER_PACKAGE);

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