| 120 | 
  | 
  printf("%s\n","  -i, --input=filename          input dump file"); | 
| 121 | 
  | 
  printf("%s\n","  -o, --output=filename         output file name"); | 
| 122 | 
  | 
  printf("%s\n","  -n, --step=INT                process every n frame  (default=`1')"); | 
| 123 | 
< | 
  printf("%s\n","  -x,  --nbins_x=INT              number of bins in x axis  (default=`100')"); | 
| 124 | 
< | 
  printf("%s\n","  -y , --nbins_y=INT              number of bins in y axis  (default=`100')"); | 
| 125 | 
< | 
   printf("%s\n","  -r, --nrbins=INT              number of bins for distance  (default=`100')"); | 
| 123 | 
> | 
  printf("%s\n","  -r, --nrbins=INT              number of bins for distance  (default=`100')"); | 
| 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","  -a, --nanglebins=INT          number of bins for cos(angle)  (default=`50')"); | 
| 127 | 
  | 
  printf("%s\n","  -l, --length=DOUBLE           maximum length (Defaults to 1/2 smallest length \n                                  of first frame)"); | 
| 128 | 
  | 
  printf("%s\n","  -z, --zoffset=DOUBLE          Where to set the zero for the slab_density \n                                  calculation  (default=`0')"); | 
| 143 | 
  | 
  printf("%s\n","      --scd                     scd order parameter(either --sele1, --sele2, \n                                  --sele3 are specified or --molname, --begin, \n                                  --end are specified)"); | 
| 144 | 
  | 
  printf("%s\n","      --density                 density plot (--sele1 must be specified)"); | 
| 145 | 
  | 
  printf("%s\n","      --slab_density            slab density (--sele1 must be specified)"); | 
| 146 | 
< | 
  printf("%s\n","      --hxy            hxy (--sele1 must be specified)"); | 
| 146 | 
> | 
  printf("%s\n","      --hxy                     hxy (--sele1 must be specified)"); | 
| 147 | 
  | 
   | 
| 148 | 
  | 
} | 
| 149 | 
  | 
 | 
| 188 | 
  | 
      free (args_info->nrbins_orig); /* free previous argument */ | 
| 189 | 
  | 
      args_info->nrbins_orig = 0; | 
| 190 | 
  | 
    } | 
| 191 | 
< | 
    if (args_info->nbins_x_orig) | 
| 191 | 
> | 
  if (args_info->nbins_x_orig) | 
| 192 | 
  | 
    { | 
| 193 | 
  | 
      free (args_info->nbins_x_orig); /* free previous argument */ | 
| 194 | 
  | 
      args_info->nbins_x_orig = 0; | 
| 198 | 
  | 
      free (args_info->nbins_y_orig); /* free previous argument */ | 
| 199 | 
  | 
      args_info->nbins_y_orig = 0; | 
| 200 | 
  | 
    } | 
| 201 | 
– | 
         | 
| 201 | 
  | 
  if (args_info->nanglebins_orig) | 
| 202 | 
  | 
    { | 
| 203 | 
  | 
      free (args_info->nanglebins_orig); /* free previous argument */ | 
| 439 | 
  | 
  if (args_info->hxy_given) { | 
| 440 | 
  | 
    fprintf(outfile, "%s\n", "hxy"); | 
| 441 | 
  | 
  } | 
| 442 | 
+ | 
   | 
| 443 | 
  | 
  fclose (outfile); | 
| 444 | 
  | 
 | 
| 445 | 
  | 
  i = EXIT_SUCCESS; | 
| 487 | 
  | 
  args_info->scd_given = 0 ; | 
| 488 | 
  | 
  args_info->density_given = 0 ; | 
| 489 | 
  | 
  args_info->slab_density_given = 0 ; | 
| 490 | 
< | 
  args_info->hxy_given= 0 ; | 
| 490 | 
> | 
  args_info->hxy_given = 0 ; | 
| 491 | 
  | 
 | 
| 492 | 
  | 
  args_info->staticProps_group_counter = 0; | 
| 493 | 
  | 
} | 
| 581 | 
  | 
        { "output",     1, NULL, 'o' }, | 
| 582 | 
  | 
        { "step",       1, NULL, 'n' }, | 
| 583 | 
  | 
        { "nrbins",     1, NULL, 'r' }, | 
| 584 | 
+ | 
        { "nbins_x",    1, NULL, 'x' }, | 
| 585 | 
+ | 
        { "nbins_y",    1, NULL, 'y' }, | 
| 586 | 
  | 
        { "nanglebins", 1, NULL, 'a' }, | 
| 587 | 
  | 
        { "length",     1, NULL, 'l' }, | 
| 588 | 
  | 
        { "zoffset",    1, NULL, 'z' }, | 
| 607 | 
  | 
      }; | 
| 608 | 
  | 
 | 
| 609 | 
  | 
      stop_char = 0; | 
| 610 | 
< | 
      c = getopt_long (argc, argv, "hVi:o:n:r:a:l:z:", long_options, &option_index); | 
| 610 | 
> | 
      c = getopt_long (argc, argv, "hVi:o:n:r:x:y:a:l:z:", long_options, &option_index); | 
| 611 | 
  | 
 | 
| 612 | 
  | 
      if (c == -1) break;       /* Exit from `while (1)' loop.  */ | 
| 613 | 
  | 
 | 
| 702 | 
  | 
        case 'x':       /* number of bins in x axis.  */ | 
| 703 | 
  | 
          if (local_args_info.nbins_x_given) | 
| 704 | 
  | 
            { | 
| 705 | 
< | 
              fprintf (stderr, "%s: `--nbins_x' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); | 
| 705 | 
> | 
              fprintf (stderr, "%s: `--nbins_x' (`-x') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); | 
| 706 | 
  | 
              goto failure; | 
| 707 | 
  | 
            } | 
| 708 | 
  | 
          if (args_info->nbins_x_given && ! override) | 
| 722 | 
  | 
        case 'y':       /* number of bins in y axis.  */ | 
| 723 | 
  | 
          if (local_args_info.nbins_y_given) | 
| 724 | 
  | 
            { | 
| 725 | 
< | 
              fprintf (stderr, "%s: `--nbins_y' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); | 
| 725 | 
> | 
              fprintf (stderr, "%s: `--nbins_y' (`-y') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); | 
| 726 | 
  | 
              goto failure; | 
| 727 | 
  | 
            } | 
| 728 | 
  | 
          if (args_info->nbins_y_given && ! override) |