ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/applications/staticProps/StaticPropsCmd.c
(Generate patch)

Comparing trunk/src/applications/staticProps/StaticPropsCmd.c (file contents):
Revision 1051 by gezelter, Wed Sep 20 20:13:40 2006 UTC vs.
Revision 1052 by gezelter, Tue Sep 26 01:30:32 2006 UTC

# Line 48 | Line 48 | void clear_given (struct gengetopt_args_info *args_inf
48    args_info->nbins_y_given = 0 ;
49    args_info->nanglebins_given = 0 ;
50    args_info->length_given = 0 ;
51 –  args_info->LegendreL_given = 0 ;
51    args_info->rcut_given = 0 ;
52    args_info->zoffset_given = 0 ;
53    args_info->sele1_given = 0 ;
# Line 91 | Line 90 | void clear_args (struct gengetopt_args_info *args_info
90    args_info->nanglebins_arg = 50;
91    args_info->nanglebins_orig = NULL;
92    args_info->length_orig = NULL;
94 –  args_info->LegendreL_orig = NULL;
93    args_info->rcut_orig = NULL;
94    args_info->zoffset_arg = 0;
95    args_info->zoffset_orig = NULL;
# Line 131 | Line 129 | cmdline_parser_print_help (void)
129    printf("%s\n","  -y, --nbins_y=INT             number of bins in y axis  (default=`100')");
130    printf("%s\n","  -a, --nanglebins=INT          number of bins for cos(angle)  (default=`50')");
131    printf("%s\n","      --length=DOUBLE           maximum length (Defaults to 1/2 smallest length \n                                  of first frame)");
134 –  printf("%s\n","  -l, --LegendreL=INT           Order of Legendre Polynomial (used for Bond \n                                  Order calculations)");
132    printf("%s\n","  -c, --rcut=DOUBLE             cutoff radius (rcut)");
133    printf("%s\n","  -z, --zoffset=DOUBLE          Where to set the zero for the slab_density \n                                  calculation  (default=`0')");
134    printf("%s\n","      --sele1=selection script  select the first stuntdouble set");
# Line 142 | Line 139 | cmdline_parser_print_help (void)
139    printf("%s\n","      --begin=INT               begin internal index");
140    printf("%s\n","      --end=INT                 end internal index");
141    printf("%s\n","\n Group: staticProps\n   an option of this group is required");
142 <  printf("%s\n","      --bo                      bond order parameter (--rcut and --LegendreL \n                                  must be specified");
142 >  printf("%s\n","      --bo                      bond order parameter (--rcut must be specified");
143    printf("%s\n","  -g, --gofr                    g(r)");
144    printf("%s\n","      --r_theta                 g(r, cos(theta))");
145    printf("%s\n","      --r_omega                 g(r, cos(omega))");
# Line 218 | Line 215 | cmdline_parser_release (struct gengetopt_args_info *ar
215        free (args_info->length_orig); /* free previous argument */
216        args_info->length_orig = 0;
217      }
221 –  if (args_info->LegendreL_orig)
222 –    {
223 –      free (args_info->LegendreL_orig); /* free previous argument */
224 –      args_info->LegendreL_orig = 0;
225 –    }
218    if (args_info->rcut_orig)
219      {
220        free (args_info->rcut_orig); /* free previous argument */
# Line 373 | Line 365 | cmdline_parser_file_save(const char *filename, struct
365        fprintf(outfile, "%s\n", "length");
366      }
367    }
376 –  if (args_info->LegendreL_given) {
377 –    if (args_info->LegendreL_orig) {
378 –      fprintf(outfile, "%s=\"%s\"\n", "LegendreL", args_info->LegendreL_orig);
379 –    } else {
380 –      fprintf(outfile, "%s\n", "LegendreL");
381 –    }
382 –  }
368    if (args_info->rcut_given) {
369      if (args_info->rcut_orig) {
370        fprintf(outfile, "%s=\"%s\"\n", "rcut", args_info->rcut_orig);
# Line 627 | Line 612 | cmdline_parser_internal (int argc, char * const *argv,
612          { "nbins_y",    1, NULL, 'y' },
613          { "nanglebins", 1, NULL, 'a' },
614          { "length",     1, NULL, 0 },
630 –        { "LegendreL",  1, NULL, 'l' },
615          { "rcut",       1, NULL, 'c' },
616          { "zoffset",    1, NULL, 'z' },
617          { "sele1",      1, NULL, 0 },
# Line 653 | Line 637 | cmdline_parser_internal (int argc, char * const *argv,
637        };
638  
639        stop_char = 0;
640 <      c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:l:c:z:gpsd", long_options, &option_index);
640 >      c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsd", long_options, &option_index);
641  
642        if (c == -1) break;       /* Exit from `while (1)' loop.  */
643  
# Line 803 | Line 787 | cmdline_parser_internal (int argc, char * const *argv,
787            if (args_info->nanglebins_orig)
788              free (args_info->nanglebins_orig); /* free previous string */
789            args_info->nanglebins_orig = gengetopt_strdup (optarg);
806 –          break;
807 –
808 –        case 'l':       /* Order of Legendre Polynomial (used for Bond Order calculations).  */
809 –          if (local_args_info.LegendreL_given)
810 –            {
811 –              fprintf (stderr, "%s: `--LegendreL' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
812 –              goto failure;
813 –            }
814 –          if (args_info->LegendreL_given && ! override)
815 –            continue;
816 –          local_args_info.LegendreL_given = 1;
817 –          args_info->LegendreL_given = 1;
818 –          args_info->LegendreL_arg = strtol (optarg, &stop_char, 0);
819 –          if (!(stop_char && *stop_char == '\0')) {
820 –            fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
821 –            goto failure;
822 –          }
823 –          if (args_info->LegendreL_orig)
824 –            free (args_info->LegendreL_orig); /* free previous string */
825 –          args_info->LegendreL_orig = gengetopt_strdup (optarg);
790            break;
791  
792          case 'c':       /* cutoff radius (rcut).  */
# Line 1085 | Line 1049 | cmdline_parser_internal (int argc, char * const *argv,
1049                free (args_info->end_orig); /* free previous string */
1050              args_info->end_orig = gengetopt_strdup (optarg);
1051            }
1052 <          /* bond order parameter (--rcut and --LegendreL must be specified.  */
1052 >          /* bond order parameter (--rcut must be specified.  */
1053            else if (strcmp (long_options[option_index].name, "bo") == 0)
1054            {
1055              if (local_args_info.bo_given)

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines