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root/OpenMD/trunk/src/applications/staticProps/StaticPropsCmd.c
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Comparing trunk/src/applications/staticProps/StaticPropsCmd.c (file contents):
Revision 955 by xsun, Fri May 12 21:34:43 2006 UTC vs.
Revision 980 by xsun, Thu Jun 1 18:06:33 2006 UTC

# Line 62 | Line 62 | void clear_given (struct gengetopt_args_info *args_inf
62    args_info->theta_omega_given = 0 ;
63    args_info->gxyz_given = 0 ;
64    args_info->p2_given = 0 ;
65 +  args_info->rp2_given = 0 ;
66    args_info->scd_given = 0 ;
67    args_info->density_given = 0 ;
68    args_info->slab_density_given = 0 ;
# Line 120 | Line 121 | cmdline_parser_print_help (void)
121    printf("%s\n","  -i, --input=filename          input dump file");
122    printf("%s\n","  -o, --output=filename         output file name");
123    printf("%s\n","  -n, --step=INT                process every n frame  (default=`1')");
124 <  printf("%s\n","  -x,  --nbins_x=INT              number of bins in x axis  (default=`100')");
125 <  printf("%s\n","  -y , --nbins_y=INT              number of bins in y axis  (default=`100')");
126 <   printf("%s\n","  -r, --nrbins=INT              number of bins for distance  (default=`100')");
124 >  printf("%s\n","  -r, --nrbins=INT              number of bins for distance  (default=`100')");
125 >  printf("%s\n","  -x, --nbins_x=INT             number of bins in x axis  (default=`100')");
126 >  printf("%s\n","  -y, --nbins_y=INT             number of bins in y axis  (default=`100')");
127    printf("%s\n","  -a, --nanglebins=INT          number of bins for cos(angle)  (default=`50')");
128    printf("%s\n","  -l, --length=DOUBLE           maximum length (Defaults to 1/2 smallest length \n                                  of first frame)");
129    printf("%s\n","  -z, --zoffset=DOUBLE          Where to set the zero for the slab_density \n                                  calculation  (default=`0')");
# Line 140 | Line 141 | cmdline_parser_print_help (void)
141    printf("%s\n","      --theta_omega             g(cos(theta), cos(omega))");
142    printf("%s\n","      --gxyz                    g(x, y, z)");
143    printf("%s\n","      --p2                      p2 order parameter (--sele1 and --sele2 must be \n                                  specified)");
144 +  printf("%s\n","      --rp2                     rp2 order parameter (--sele1 and --sele2 must \n                                  be specified)");
145    printf("%s\n","      --scd                     scd order parameter(either --sele1, --sele2, \n                                  --sele3 are specified or --molname, --begin, \n                                  --end are specified)");
146    printf("%s\n","      --density                 density plot (--sele1 must be specified)");
147    printf("%s\n","      --slab_density            slab density (--sele1 must be specified)");
148 <  printf("%s\n","      --hxy            hxy (--sele1 must be specified)");
148 >  printf("%s\n","      --hxy                     hxy (--sele1 must be specified)");
149    
150   }
151  
# Line 188 | Line 190 | cmdline_parser_release (struct gengetopt_args_info *ar
190        free (args_info->nrbins_orig); /* free previous argument */
191        args_info->nrbins_orig = 0;
192      }
193 <    if (args_info->nbins_x_orig)
193 >  if (args_info->nbins_x_orig)
194      {
195        free (args_info->nbins_x_orig); /* free previous argument */
196        args_info->nbins_x_orig = 0;
# Line 198 | Line 200 | cmdline_parser_release (struct gengetopt_args_info *ar
200        free (args_info->nbins_y_orig); /* free previous argument */
201        args_info->nbins_y_orig = 0;
202      }
201 –        
203    if (args_info->nanglebins_orig)
204      {
205        free (args_info->nanglebins_orig); /* free previous argument */
# Line 427 | Line 428 | cmdline_parser_file_save(const char *filename, struct
428    }
429    if (args_info->p2_given) {
430      fprintf(outfile, "%s\n", "p2");
431 +  }
432 +  if (args_info->rp2_given) {
433 +    fprintf(outfile, "%s\n", "rp2");
434    }
435    if (args_info->scd_given) {
436      fprintf(outfile, "%s\n", "scd");
# Line 440 | Line 444 | cmdline_parser_file_save(const char *filename, struct
444    if (args_info->hxy_given) {
445      fprintf(outfile, "%s\n", "hxy");
446    }
447 +  
448    fclose (outfile);
449  
450    i = EXIT_SUCCESS;
# Line 484 | Line 489 | reset_group_staticProps(struct gengetopt_args_info *ar
489    args_info->theta_omega_given = 0 ;
490    args_info->gxyz_given = 0 ;
491    args_info->p2_given = 0 ;
492 +  args_info->rp2_given = 0 ;
493    args_info->scd_given = 0 ;
494    args_info->density_given = 0 ;
495    args_info->slab_density_given = 0 ;
496 <  args_info->hxy_given= 0 ;
496 >  args_info->hxy_given = 0 ;
497  
498    args_info->staticProps_group_counter = 0;
499   }
# Line 581 | Line 587 | cmdline_parser_internal (int argc, char * const *argv,
587          { "output",     1, NULL, 'o' },
588          { "step",       1, NULL, 'n' },
589          { "nrbins",     1, NULL, 'r' },
590 +        { "nbins_x",    1, NULL, 'x' },
591 +        { "nbins_y",    1, NULL, 'y' },
592          { "nanglebins", 1, NULL, 'a' },
593          { "length",     1, NULL, 'l' },
594          { "zoffset",    1, NULL, 'z' },
# Line 597 | Line 605 | cmdline_parser_internal (int argc, char * const *argv,
605          { "theta_omega",        0, NULL, 0 },
606          { "gxyz",       0, NULL, 0 },
607          { "p2", 0, NULL, 0 },
608 +        { "rp2",        0, NULL, 0 },
609          { "scd",        0, NULL, 0 },
610          { "density",    0, NULL, 0 },
611          { "slab_density",       0, NULL, 0 },
# Line 605 | Line 614 | cmdline_parser_internal (int argc, char * const *argv,
614        };
615  
616        stop_char = 0;
617 <      c = getopt_long (argc, argv, "hVi:o:n:r:a:l:z:", long_options, &option_index);
617 >      c = getopt_long (argc, argv, "hVi:o:n:r:x:y:a:l:z:", long_options, &option_index);
618  
619        if (c == -1) break;       /* Exit from `while (1)' loop.  */
620  
# Line 700 | Line 709 | cmdline_parser_internal (int argc, char * const *argv,
709          case 'x':       /* number of bins in x axis.  */
710            if (local_args_info.nbins_x_given)
711              {
712 <              fprintf (stderr, "%s: `--nbins_x' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
712 >              fprintf (stderr, "%s: `--nbins_x' (`-x') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
713                goto failure;
714              }
715            if (args_info->nbins_x_given && ! override)
# Line 720 | Line 729 | cmdline_parser_internal (int argc, char * const *argv,
729          case 'y':       /* number of bins in y axis.  */
730            if (local_args_info.nbins_y_given)
731              {
732 <              fprintf (stderr, "%s: `--nbins_y' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
732 >              fprintf (stderr, "%s: `--nbins_y' (`-y') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
733                goto failure;
734              }
735            if (args_info->nbins_y_given && ! override)
# Line 1038 | Line 1047 | cmdline_parser_internal (int argc, char * const *argv,
1047              args_info->staticProps_group_counter += 1;
1048              break;
1049            }
1050 +          /* rp2 order parameter (--sele1 and --sele2 must be specified).  */
1051 +          else if (strcmp (long_options[option_index].name, "rp2") == 0)
1052 +          {
1053 +            if (local_args_info.rp2_given)
1054 +              {
1055 +                fprintf (stderr, "%s: `--rp2' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1056 +                goto failure;
1057 +              }
1058 +            if (args_info->rp2_given && ! override)
1059 +              continue;
1060 +            local_args_info.rp2_given = 1;
1061 +            args_info->rp2_given = 1;
1062 +            if (args_info->staticProps_group_counter && override)
1063 +              reset_group_staticProps (args_info);
1064 +            args_info->staticProps_group_counter += 1;
1065 +            break;
1066 +          }
1067            /* scd order parameter(either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified).  */
1068            else if (strcmp (long_options[option_index].name, "scd") == 0)
1069            {

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