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root/OpenMD/trunk/src/applications/staticProps/StaticPropsCmd.cpp
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Comparing trunk/src/applications/staticProps/StaticPropsCmd.c (file contents):
Revision 929 by gezelter, Tue Apr 11 15:33:27 2006 UTC vs.
Revision 955 by xsun, Fri May 12 21:34:43 2006 UTC

# Line 44 | Line 44 | void clear_given (struct gengetopt_args_info *args_inf
44    args_info->output_given = 0 ;
45    args_info->step_given = 0 ;
46    args_info->nrbins_given = 0 ;
47 +  args_info->nbins_x_given = 0 ;
48 +  args_info->nbins_y_given = 0 ;
49    args_info->nanglebins_given = 0 ;
50    args_info->length_given = 0 ;
51    args_info->zoffset_given = 0 ;
# Line 63 | Line 65 | void clear_given (struct gengetopt_args_info *args_inf
65    args_info->scd_given = 0 ;
66    args_info->density_given = 0 ;
67    args_info->slab_density_given = 0 ;
68 +  args_info->hxy_given = 0 ;
69    args_info->staticProps_group_counter = 0 ;
70   }
71  
# Line 77 | Line 80 | void clear_args (struct gengetopt_args_info *args_info
80    args_info->step_orig = NULL;
81    args_info->nrbins_arg = 100;
82    args_info->nrbins_orig = NULL;
83 +  args_info->nbins_x_arg = 100;
84 +  args_info->nbins_x_orig = NULL;
85 +  args_info->nbins_y_arg = 100;
86 +  args_info->nbins_y_orig = NULL;
87    args_info->nanglebins_arg = 50;
88    args_info->nanglebins_orig = NULL;
89    args_info->length_orig = NULL;
# Line 113 | Line 120 | cmdline_parser_print_help (void)
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","  -r, --nrbins=INT              number of bins for distance  (default=`100')");
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')");
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')");
# Line 134 | Line 143 | cmdline_parser_print_help (void)
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)");
147    
148   }
149  
# Line 178 | Line 188 | cmdline_parser_release (struct gengetopt_args_info *ar
188        free (args_info->nrbins_orig); /* free previous argument */
189        args_info->nrbins_orig = 0;
190      }
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;
195 +    }
196 +  if (args_info->nbins_y_orig)
197 +    {
198 +      free (args_info->nbins_y_orig); /* free previous argument */
199 +      args_info->nbins_y_orig = 0;
200 +    }
201 +        
202    if (args_info->nanglebins_orig)
203      {
204        free (args_info->nanglebins_orig); /* free previous argument */
# Line 303 | Line 324 | cmdline_parser_file_save(const char *filename, struct
324        fprintf(outfile, "%s=\"%s\"\n", "nrbins", args_info->nrbins_orig);
325      } else {
326        fprintf(outfile, "%s\n", "nrbins");
327 +    }
328 +  }
329 +  if (args_info->nbins_x_given) {
330 +    if (args_info->nbins_x_orig) {
331 +      fprintf(outfile, "%s=\"%s\"\n", "nbins_x", args_info->nbins_x_orig);
332 +    } else {
333 +      fprintf(outfile, "%s\n", "nbins_x");
334      }
335    }
336 +  if (args_info->nbins_y_given) {
337 +    if (args_info->nbins_y_orig) {
338 +      fprintf(outfile, "%s=\"%s\"\n", "nbins_y", args_info->nbins_y_orig);
339 +    } else {
340 +      fprintf(outfile, "%s\n", "nbins_y");
341 +    }
342 +  }
343    if (args_info->nanglebins_given) {
344      if (args_info->nanglebins_orig) {
345        fprintf(outfile, "%s=\"%s\"\n", "nanglebins", args_info->nanglebins_orig);
# Line 402 | Line 437 | cmdline_parser_file_save(const char *filename, struct
437    if (args_info->slab_density_given) {
438      fprintf(outfile, "%s\n", "slab_density");
439    }
440 <  
440 >  if (args_info->hxy_given) {
441 >    fprintf(outfile, "%s\n", "hxy");
442 >  }
443    fclose (outfile);
444  
445    i = EXIT_SUCCESS;
# Line 450 | Line 487 | reset_group_staticProps(struct gengetopt_args_info *ar
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 ;
491  
492    args_info->staticProps_group_counter = 0;
493   }
# Line 562 | Line 600 | cmdline_parser_internal (int argc, char * const *argv,
600          { "scd",        0, NULL, 0 },
601          { "density",    0, NULL, 0 },
602          { "slab_density",       0, NULL, 0 },
603 +        { "hxy",        0, NULL, 0 },
604          { NULL, 0, NULL, 0 }
605        };
606  
# Line 656 | Line 695 | cmdline_parser_internal (int argc, char * const *argv,
695            if (args_info->nrbins_orig)
696              free (args_info->nrbins_orig); /* free previous string */
697            args_info->nrbins_orig = gengetopt_strdup (optarg);
698 +          break;
699 +
700 +        case 'x':       /* number of bins in x axis.  */
701 +          if (local_args_info.nbins_x_given)
702 +            {
703 +              fprintf (stderr, "%s: `--nbins_x' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
704 +              goto failure;
705 +            }
706 +          if (args_info->nbins_x_given && ! override)
707 +            continue;
708 +          local_args_info.nbins_x_given = 1;
709 +          args_info->nbins_x_given = 1;
710 +          args_info->nbins_x_arg = strtol (optarg, &stop_char, 0);
711 +          if (!(stop_char && *stop_char == '\0')) {
712 +            fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
713 +            goto failure;
714 +          }
715 +          if (args_info->nbins_x_orig)
716 +            free (args_info->nbins_x_orig); /* free previous string */
717 +          args_info->nbins_x_orig = gengetopt_strdup (optarg);
718            break;
719  
720 +        case 'y':       /* number of bins in y axis.  */
721 +          if (local_args_info.nbins_y_given)
722 +            {
723 +              fprintf (stderr, "%s: `--nbins_y' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
724 +              goto failure;
725 +            }
726 +          if (args_info->nbins_y_given && ! override)
727 +            continue;
728 +          local_args_info.nbins_y_given = 1;
729 +          args_info->nbins_y_given = 1;
730 +          args_info->nbins_y_arg = strtol (optarg, &stop_char, 0);
731 +          if (!(stop_char && *stop_char == '\0')) {
732 +            fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
733 +            goto failure;
734 +          }
735 +          if (args_info->nbins_y_orig)
736 +            free (args_info->nbins_y_orig); /* free previous string */
737 +          args_info->nbins_y_orig = gengetopt_strdup (optarg);
738 +          break;
739 +
740          case 'a':       /* number of bins for cos(angle).  */
741            if (local_args_info.nanglebins_given)
742              {
# Line 1005 | Line 1084 | cmdline_parser_internal (int argc, char * const *argv,
1084                continue;
1085              local_args_info.slab_density_given = 1;
1086              args_info->slab_density_given = 1;
1087 +            if (args_info->staticProps_group_counter && override)
1088 +              reset_group_staticProps (args_info);
1089 +            args_info->staticProps_group_counter += 1;
1090 +            break;
1091 +          }
1092 +          /* hxy (--sele1 must be specified).  */
1093 +          else if (strcmp (long_options[option_index].name, "hxy") == 0)
1094 +          {
1095 +            if (local_args_info.hxy_given)
1096 +              {
1097 +                fprintf (stderr, "%s: `--hxy' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1098 +                goto failure;
1099 +              }
1100 +            if (args_info->hxy_given && ! override)
1101 +              continue;
1102 +            local_args_info.hxy_given = 1;
1103 +            args_info->hxy_given = 1;
1104              if (args_info->staticProps_group_counter && override)
1105                reset_group_staticProps (args_info);
1106              args_info->staticProps_group_counter += 1;

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