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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 1039 by gezelter, Tue Sep 19 21:14:11 2006 UTC vs.
Revision 1041 by gezelter, Wed Sep 20 20:13:40 2006 UTC

# Line 43 | Line 43 | void clear_given (struct gengetopt_args_info *args_inf
43    args_info->input_given = 0 ;
44    args_info->output_given = 0 ;
45    args_info->step_given = 0 ;
46 <  args_info->nrbins_given = 0 ;
46 >  args_info->nbins_given = 0 ;
47    args_info->nbins_x_given = 0 ;
48    args_info->nbins_y_given = 0 ;
49    args_info->nanglebins_given = 0 ;
# Line 82 | Line 82 | void clear_args (struct gengetopt_args_info *args_info
82    args_info->output_orig = NULL;
83    args_info->step_arg = 1;
84    args_info->step_orig = NULL;
85 <  args_info->nrbins_arg = 100;
86 <  args_info->nrbins_orig = NULL;
85 >  args_info->nbins_arg = 100;
86 >  args_info->nbins_orig = NULL;
87    args_info->nbins_x_arg = 100;
88    args_info->nbins_x_orig = NULL;
89    args_info->nbins_y_arg = 100;
# Line 126 | Line 126 | cmdline_parser_print_help (void)
126    printf("%s\n","  -i, --input=filename          input dump file");
127    printf("%s\n","  -o, --output=filename         output file name");
128    printf("%s\n","  -n, --step=INT                process every n frame  (default=`1')");
129 <  printf("%s\n","  -r, --nrbins=INT              number of bins for distance  (default=`100')");
129 >  printf("%s\n","  -b, --nbins=INT               number of bins (general purpose)  \n                                  (default=`100')");
130    printf("%s\n","  -x, --nbins_x=INT             number of bins in x axis  (default=`100')");
131    printf("%s\n","  -y, --nbins_y=INT             number of bins in y axis  (default=`100')");
132    printf("%s\n","  -a, --nanglebins=INT          number of bins for cos(angle)  (default=`50')");
# Line 142 | Line 142 | cmdline_parser_print_help (void)
142    printf("%s\n","      --begin=INT               begin internal index");
143    printf("%s\n","      --end=INT                 end internal index");
144    printf("%s\n","\n Group: staticProps\n   an option of this group is required");
145 <  printf("%s\n","  -b, --bo                      bond order parameter (--rcut and --LegendreL \n                                  must be specified");
145 >  printf("%s\n","      --bo                      bond order parameter (--rcut and --LegendreL \n                                  must be specified");
146    printf("%s\n","  -g, --gofr                    g(r)");
147    printf("%s\n","      --r_theta                 g(r, cos(theta))");
148    printf("%s\n","      --r_omega                 g(r, cos(omega))");
# Line 193 | Line 193 | cmdline_parser_release (struct gengetopt_args_info *ar
193        free (args_info->step_orig); /* free previous argument */
194        args_info->step_orig = 0;
195      }
196 <  if (args_info->nrbins_orig)
196 >  if (args_info->nbins_orig)
197      {
198 <      free (args_info->nrbins_orig); /* free previous argument */
199 <      args_info->nrbins_orig = 0;
198 >      free (args_info->nbins_orig); /* free previous argument */
199 >      args_info->nbins_orig = 0;
200      }
201    if (args_info->nbins_x_orig)
202      {
# Line 338 | Line 338 | cmdline_parser_file_save(const char *filename, struct
338        fprintf(outfile, "%s\n", "step");
339      }
340    }
341 <  if (args_info->nrbins_given) {
342 <    if (args_info->nrbins_orig) {
343 <      fprintf(outfile, "%s=\"%s\"\n", "nrbins", args_info->nrbins_orig);
341 >  if (args_info->nbins_given) {
342 >    if (args_info->nbins_orig) {
343 >      fprintf(outfile, "%s=\"%s\"\n", "nbins", args_info->nbins_orig);
344      } else {
345 <      fprintf(outfile, "%s\n", "nrbins");
345 >      fprintf(outfile, "%s\n", "nbins");
346      }
347    }
348    if (args_info->nbins_x_given) {
# Line 622 | Line 622 | cmdline_parser_internal (int argc, char * const *argv,
622          { "input",      1, NULL, 'i' },
623          { "output",     1, NULL, 'o' },
624          { "step",       1, NULL, 'n' },
625 <        { "nrbins",     1, NULL, 'r' },
625 >        { "nbins",      1, NULL, 'b' },
626          { "nbins_x",    1, NULL, 'x' },
627          { "nbins_y",    1, NULL, 'y' },
628          { "nanglebins", 1, NULL, 'a' },
# Line 637 | Line 637 | cmdline_parser_internal (int argc, char * const *argv,
637          { "molname",    1, NULL, 0 },
638          { "begin",      1, NULL, 0 },
639          { "end",        1, NULL, 0 },
640 <        { "bo", 0, NULL, 'b' },
640 >        { "bo", 0, NULL, 0 },
641          { "gofr",       0, NULL, 'g' },
642          { "r_theta",    0, NULL, 0 },
643          { "r_omega",    0, NULL, 0 },
# Line 653 | Line 653 | cmdline_parser_internal (int argc, char * const *argv,
653        };
654  
655        stop_char = 0;
656 <      c = getopt_long (argc, argv, "hVi:o:n:r:x:y:a:l:c:z:bgpsd", long_options, &option_index);
656 >      c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:l:c:z:gpsd", long_options, &option_index);
657  
658        if (c == -1) break;       /* Exit from `while (1)' loop.  */
659  
# Line 725 | Line 725 | cmdline_parser_internal (int argc, char * const *argv,
725            args_info->step_orig = gengetopt_strdup (optarg);
726            break;
727  
728 <        case 'r':       /* number of bins for distance.  */
729 <          if (local_args_info.nrbins_given)
728 >        case 'b':       /* number of bins (general purpose).  */
729 >          if (local_args_info.nbins_given)
730              {
731 <              fprintf (stderr, "%s: `--nrbins' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
731 >              fprintf (stderr, "%s: `--nbins' (`-b') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
732                goto failure;
733              }
734 <          if (args_info->nrbins_given && ! override)
734 >          if (args_info->nbins_given && ! override)
735              continue;
736 <          local_args_info.nrbins_given = 1;
737 <          args_info->nrbins_given = 1;
738 <          args_info->nrbins_arg = strtol (optarg, &stop_char, 0);
736 >          local_args_info.nbins_given = 1;
737 >          args_info->nbins_given = 1;
738 >          args_info->nbins_arg = strtol (optarg, &stop_char, 0);
739            if (!(stop_char && *stop_char == '\0')) {
740              fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
741              goto failure;
742            }
743 <          if (args_info->nrbins_orig)
744 <            free (args_info->nrbins_orig); /* free previous string */
745 <          args_info->nrbins_orig = gengetopt_strdup (optarg);
743 >          if (args_info->nbins_orig)
744 >            free (args_info->nbins_orig); /* free previous string */
745 >          args_info->nbins_orig = gengetopt_strdup (optarg);
746            break;
747  
748          case 'x':       /* number of bins in x axis.  */
# Line 863 | Line 863 | cmdline_parser_internal (int argc, char * const *argv,
863            if (args_info->zoffset_orig)
864              free (args_info->zoffset_orig); /* free previous string */
865            args_info->zoffset_orig = gengetopt_strdup (optarg);
866 –          break;
867 –
868 –        case 'b':       /* bond order parameter (--rcut and --LegendreL must be specified.  */
869 –          if (local_args_info.bo_given)
870 –            {
871 –              fprintf (stderr, "%s: `--bo' (`-b') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
872 –              goto failure;
873 –            }
874 –          if (args_info->bo_given && ! override)
875 –            continue;
876 –          local_args_info.bo_given = 1;
877 –          args_info->bo_given = 1;
878 –          if (args_info->staticProps_group_counter && override)
879 –            reset_group_staticProps (args_info);
880 –          args_info->staticProps_group_counter += 1;
866            break;
867  
868          case 'g':       /* g(r).  */
# Line 1100 | Line 1085 | cmdline_parser_internal (int argc, char * const *argv,
1085                free (args_info->end_orig); /* free previous string */
1086              args_info->end_orig = gengetopt_strdup (optarg);
1087            }
1088 +          /* bond order parameter (--rcut and --LegendreL must be specified.  */
1089 +          else if (strcmp (long_options[option_index].name, "bo") == 0)
1090 +          {
1091 +            if (local_args_info.bo_given)
1092 +              {
1093 +                fprintf (stderr, "%s: `--bo' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1094 +                goto failure;
1095 +              }
1096 +            if (args_info->bo_given && ! override)
1097 +              continue;
1098 +            local_args_info.bo_given = 1;
1099 +            args_info->bo_given = 1;
1100 +            if (args_info->staticProps_group_counter && override)
1101 +              reset_group_staticProps (args_info);
1102 +            args_info->staticProps_group_counter += 1;
1103 +            break;
1104 +          }
1105            /* g(r, cos(theta)).  */
1106            else if (strcmp (long_options[option_index].name, "r_theta") == 0)
1107            {

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