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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 1091 by chuckv, Fri Nov 10 18:45:29 2006 UTC

# Line 1 | Line 1
1   /*
2 <  File autogenerated by gengetopt version 2.16
2 >  File autogenerated by gengetopt version 2.15
3    generated with the following command:
4 <  gengetopt -F StaticPropsCmd
4 >  gengetopt -i StaticProps.ggo -F StaticPropsCmd
5  
6    The developers of gengetopt consider the fixed text that goes in all
7    gengetopt output files to be in the public domain:
# 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 ;
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 58 | Line 57 | void clear_given (struct gengetopt_args_info *args_inf
57    args_info->molname_given = 0 ;
58    args_info->begin_given = 0 ;
59    args_info->end_given = 0 ;
60 +  args_info->radius_given = 0 ;
61    args_info->bo_given = 0 ;
62    args_info->gofr_given = 0 ;
63    args_info->r_theta_given = 0 ;
# Line 70 | Line 70 | void clear_given (struct gengetopt_args_info *args_inf
70    args_info->density_given = 0 ;
71    args_info->slab_density_given = 0 ;
72    args_info->hxy_given = 0 ;
73 +  args_info->rho_r_given = 0 ;
74    args_info->staticProps_group_counter = 0 ;
75   }
76  
# Line 82 | Line 83 | void clear_args (struct gengetopt_args_info *args_info
83    args_info->output_orig = NULL;
84    args_info->step_arg = 1;
85    args_info->step_orig = NULL;
86 <  args_info->nrbins_arg = 100;
87 <  args_info->nrbins_orig = NULL;
86 >  args_info->nbins_arg = 100;
87 >  args_info->nbins_orig = NULL;
88    args_info->nbins_x_arg = 100;
89    args_info->nbins_x_orig = NULL;
90    args_info->nbins_y_arg = 100;
# Line 91 | Line 92 | void clear_args (struct gengetopt_args_info *args_info
92    args_info->nanglebins_arg = 50;
93    args_info->nanglebins_orig = NULL;
94    args_info->length_orig = NULL;
94 –  args_info->LegendreL_orig = NULL;
95    args_info->rcut_orig = NULL;
96    args_info->zoffset_arg = 0;
97    args_info->zoffset_orig = NULL;
# Line 107 | Line 107 | void clear_args (struct gengetopt_args_info *args_info
107    args_info->molname_orig = NULL;
108    args_info->begin_orig = NULL;
109    args_info->end_orig = NULL;
110 +  args_info->radius_orig = NULL;
111    
112   }
113  
# Line 126 | Line 127 | cmdline_parser_print_help (void)
127    printf("%s\n","  -i, --input=filename          input dump file");
128    printf("%s\n","  -o, --output=filename         output file name");
129    printf("%s\n","  -n, --step=INT                process every n frame  (default=`1')");
130 <  printf("%s\n","  -r, --nrbins=INT              number of bins for distance  (default=`100')");
130 >  printf("%s\n","  -b, --nbins=INT               number of bins (general purpose)  \n                                  (default=`100')");
131    printf("%s\n","  -x, --nbins_x=INT             number of bins in x axis  (default=`100')");
132    printf("%s\n","  -y, --nbins_y=INT             number of bins in y axis  (default=`100')");
133    printf("%s\n","  -a, --nanglebins=INT          number of bins for cos(angle)  (default=`50')");
134    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)");
135    printf("%s\n","  -c, --rcut=DOUBLE             cutoff radius (rcut)");
136    printf("%s\n","  -z, --zoffset=DOUBLE          Where to set the zero for the slab_density \n                                  calculation  (default=`0')");
137    printf("%s\n","      --sele1=selection script  select the first stuntdouble set");
# Line 141 | Line 141 | cmdline_parser_print_help (void)
141    printf("%s\n","      --molname=STRING          molecule name");
142    printf("%s\n","      --begin=INT               begin internal index");
143    printf("%s\n","      --end=INT                 end internal index");
144 +  printf("%s\n","      --radius=DOUBLE           nanoparticle radius");
145    printf("%s\n","\n Group: staticProps\n   an option of this group is required");
146 <  printf("%s\n","  -b, --bo                      bond order parameter (--rcut and --LegendreL \n                                  must be specified");
146 >  printf("%s\n","      --bo                      bond order parameter (--rcut must be specified");
147    printf("%s\n","  -g, --gofr                    g(r)");
148    printf("%s\n","      --r_theta                 g(r, cos(theta))");
149    printf("%s\n","      --r_omega                 g(r, cos(omega))");
# Line 154 | Line 155 | cmdline_parser_print_help (void)
155    printf("%s\n","  -d, --density                 density plot");
156    printf("%s\n","      --slab_density            slab density");
157    printf("%s\n","      --hxy                     hxy");
158 +  printf("%s\n","      --rho_r                   rho of R");
159    
160   }
161  
# Line 193 | Line 195 | cmdline_parser_release (struct gengetopt_args_info *ar
195        free (args_info->step_orig); /* free previous argument */
196        args_info->step_orig = 0;
197      }
198 <  if (args_info->nrbins_orig)
198 >  if (args_info->nbins_orig)
199      {
200 <      free (args_info->nrbins_orig); /* free previous argument */
201 <      args_info->nrbins_orig = 0;
200 >      free (args_info->nbins_orig); /* free previous argument */
201 >      args_info->nbins_orig = 0;
202      }
203    if (args_info->nbins_x_orig)
204      {
# Line 218 | Line 220 | cmdline_parser_release (struct gengetopt_args_info *ar
220        free (args_info->length_orig); /* free previous argument */
221        args_info->length_orig = 0;
222      }
221 –  if (args_info->LegendreL_orig)
222 –    {
223 –      free (args_info->LegendreL_orig); /* free previous argument */
224 –      args_info->LegendreL_orig = 0;
225 –    }
223    if (args_info->rcut_orig)
224      {
225        free (args_info->rcut_orig); /* free previous argument */
# Line 293 | Line 290 | cmdline_parser_release (struct gengetopt_args_info *ar
290        free (args_info->end_orig); /* free previous argument */
291        args_info->end_orig = 0;
292      }
293 +  if (args_info->radius_orig)
294 +    {
295 +      free (args_info->radius_orig); /* free previous argument */
296 +      args_info->radius_orig = 0;
297 +    }
298    
299    clear_given (args_info);
300   }
# Line 338 | Line 340 | cmdline_parser_file_save(const char *filename, struct
340        fprintf(outfile, "%s\n", "step");
341      }
342    }
343 <  if (args_info->nrbins_given) {
344 <    if (args_info->nrbins_orig) {
345 <      fprintf(outfile, "%s=\"%s\"\n", "nrbins", args_info->nrbins_orig);
343 >  if (args_info->nbins_given) {
344 >    if (args_info->nbins_orig) {
345 >      fprintf(outfile, "%s=\"%s\"\n", "nbins", args_info->nbins_orig);
346      } else {
347 <      fprintf(outfile, "%s\n", "nrbins");
347 >      fprintf(outfile, "%s\n", "nbins");
348      }
349    }
350    if (args_info->nbins_x_given) {
# Line 371 | Line 373 | cmdline_parser_file_save(const char *filename, struct
373        fprintf(outfile, "%s=\"%s\"\n", "length", args_info->length_orig);
374      } else {
375        fprintf(outfile, "%s\n", "length");
374 –    }
375 –  }
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");
376      }
377    }
378    if (args_info->rcut_given) {
# Line 443 | Line 438 | cmdline_parser_file_save(const char *filename, struct
438        fprintf(outfile, "%s\n", "end");
439      }
440    }
441 +  if (args_info->radius_given) {
442 +    if (args_info->radius_orig) {
443 +      fprintf(outfile, "%s=\"%s\"\n", "radius", args_info->radius_orig);
444 +    } else {
445 +      fprintf(outfile, "%s\n", "radius");
446 +    }
447 +  }
448    if (args_info->bo_given) {
449      fprintf(outfile, "%s\n", "bo");
450    }
# Line 478 | Line 480 | cmdline_parser_file_save(const char *filename, struct
480    }
481    if (args_info->hxy_given) {
482      fprintf(outfile, "%s\n", "hxy");
483 +  }
484 +  if (args_info->rho_r_given) {
485 +    fprintf(outfile, "%s\n", "rho_r");
486    }
487    
488    fclose (outfile);
# Line 530 | Line 535 | reset_group_staticProps(struct gengetopt_args_info *ar
535    args_info->density_given = 0 ;
536    args_info->slab_density_given = 0 ;
537    args_info->hxy_given = 0 ;
538 +  args_info->rho_r_given = 0 ;
539  
540    args_info->staticProps_group_counter = 0;
541   }
# Line 607 | Line 613 | cmdline_parser_internal (int argc, char * const *argv,
613    cmdline_parser_init (&local_args_info);
614  
615    optarg = 0;
616 <  optind = 0;
616 >  optind = 1;
617    opterr = 1;
618    optopt = '?';
619  
# Line 622 | Line 628 | cmdline_parser_internal (int argc, char * const *argv,
628          { "input",      1, NULL, 'i' },
629          { "output",     1, NULL, 'o' },
630          { "step",       1, NULL, 'n' },
631 <        { "nrbins",     1, NULL, 'r' },
631 >        { "nbins",      1, NULL, 'b' },
632          { "nbins_x",    1, NULL, 'x' },
633          { "nbins_y",    1, NULL, 'y' },
634          { "nanglebins", 1, NULL, 'a' },
635          { "length",     1, NULL, 0 },
630 –        { "LegendreL",  1, NULL, 'l' },
636          { "rcut",       1, NULL, 'c' },
637          { "zoffset",    1, NULL, 'z' },
638          { "sele1",      1, NULL, 0 },
# Line 637 | Line 642 | cmdline_parser_internal (int argc, char * const *argv,
642          { "molname",    1, NULL, 0 },
643          { "begin",      1, NULL, 0 },
644          { "end",        1, NULL, 0 },
645 <        { "bo", 0, NULL, 'b' },
645 >        { "radius",     1, NULL, 0 },
646 >        { "bo", 0, NULL, 0 },
647          { "gofr",       0, NULL, 'g' },
648          { "r_theta",    0, NULL, 0 },
649          { "r_omega",    0, NULL, 0 },
# Line 649 | Line 655 | cmdline_parser_internal (int argc, char * const *argv,
655          { "density",    0, NULL, 'd' },
656          { "slab_density",       0, NULL, 0 },
657          { "hxy",        0, NULL, 0 },
658 +        { "rho_r",      0, NULL, 0 },
659          { NULL, 0, NULL, 0 }
660        };
661  
662        stop_char = 0;
663 <      c = getopt_long (argc, argv, "hVi:o:n:r:x:y:a:l:c:z:bgpsd", long_options, &option_index);
663 >      c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsd", long_options, &option_index);
664  
665        if (c == -1) break;       /* Exit from `while (1)' loop.  */
666  
# Line 725 | Line 732 | cmdline_parser_internal (int argc, char * const *argv,
732            args_info->step_orig = gengetopt_strdup (optarg);
733            break;
734  
735 <        case 'r':       /* number of bins for distance.  */
736 <          if (local_args_info.nrbins_given)
735 >        case 'b':       /* number of bins (general purpose).  */
736 >          if (local_args_info.nbins_given)
737              {
738 <              fprintf (stderr, "%s: `--nrbins' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
738 >              fprintf (stderr, "%s: `--nbins' (`-b') option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
739                goto failure;
740              }
741 <          if (args_info->nrbins_given && ! override)
741 >          if (args_info->nbins_given && ! override)
742              continue;
743 <          local_args_info.nrbins_given = 1;
744 <          args_info->nrbins_given = 1;
745 <          args_info->nrbins_arg = strtol (optarg, &stop_char, 0);
743 >          local_args_info.nbins_given = 1;
744 >          args_info->nbins_given = 1;
745 >          args_info->nbins_arg = strtol (optarg, &stop_char, 0);
746            if (!(stop_char && *stop_char == '\0')) {
747              fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
748              goto failure;
749            }
750 <          if (args_info->nrbins_orig)
751 <            free (args_info->nrbins_orig); /* free previous string */
752 <          args_info->nrbins_orig = gengetopt_strdup (optarg);
750 >          if (args_info->nbins_orig)
751 >            free (args_info->nbins_orig); /* free previous string */
752 >          args_info->nbins_orig = gengetopt_strdup (optarg);
753            break;
754  
755          case 'x':       /* number of bins in x axis.  */
# Line 805 | Line 812 | cmdline_parser_internal (int argc, char * const *argv,
812            args_info->nanglebins_orig = gengetopt_strdup (optarg);
813            break;
814  
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);
826 –          break;
827 –
815          case 'c':       /* cutoff radius (rcut).  */
816            if (local_args_info.rcut_given)
817              {
# Line 863 | Line 850 | cmdline_parser_internal (int argc, char * const *argv,
850            if (args_info->zoffset_orig)
851              free (args_info->zoffset_orig); /* free previous string */
852            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;
853            break;
854  
855          case 'g':       /* g(r).  */
# Line 1099 | Line 1071 | cmdline_parser_internal (int argc, char * const *argv,
1071              if (args_info->end_orig)
1072                free (args_info->end_orig); /* free previous string */
1073              args_info->end_orig = gengetopt_strdup (optarg);
1074 +          }
1075 +          /* nanoparticle radius.  */
1076 +          else if (strcmp (long_options[option_index].name, "radius") == 0)
1077 +          {
1078 +            if (local_args_info.radius_given)
1079 +              {
1080 +                fprintf (stderr, "%s: `--radius' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1081 +                goto failure;
1082 +              }
1083 +            if (args_info->radius_given && ! override)
1084 +              continue;
1085 +            local_args_info.radius_given = 1;
1086 +            args_info->radius_given = 1;
1087 +            args_info->radius_arg = strtod (optarg, &stop_char);
1088 +            if (!(stop_char && *stop_char == '\0')) {
1089 +              fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
1090 +              goto failure;
1091 +            }
1092 +            if (args_info->radius_orig)
1093 +              free (args_info->radius_orig); /* free previous string */
1094 +            args_info->radius_orig = gengetopt_strdup (optarg);
1095            }
1096 +          /* bond order parameter (--rcut must be specified.  */
1097 +          else if (strcmp (long_options[option_index].name, "bo") == 0)
1098 +          {
1099 +            if (local_args_info.bo_given)
1100 +              {
1101 +                fprintf (stderr, "%s: `--bo' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1102 +                goto failure;
1103 +              }
1104 +            if (args_info->bo_given && ! override)
1105 +              continue;
1106 +            local_args_info.bo_given = 1;
1107 +            args_info->bo_given = 1;
1108 +            if (args_info->staticProps_group_counter && override)
1109 +              reset_group_staticProps (args_info);
1110 +            args_info->staticProps_group_counter += 1;
1111 +            break;
1112 +          }
1113            /* g(r, cos(theta)).  */
1114            else if (strcmp (long_options[option_index].name, "r_theta") == 0)
1115            {
# Line 1219 | Line 1229 | cmdline_parser_internal (int argc, char * const *argv,
1229              args_info->staticProps_group_counter += 1;
1230              break;
1231            }
1232 +          /* rho of R.  */
1233 +          else if (strcmp (long_options[option_index].name, "rho_r") == 0)
1234 +          {
1235 +            if (local_args_info.rho_r_given)
1236 +              {
1237 +                fprintf (stderr, "%s: `--rho_r' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
1238 +                goto failure;
1239 +              }
1240 +            if (args_info->rho_r_given && ! override)
1241 +              continue;
1242 +            local_args_info.rho_r_given = 1;
1243 +            args_info->rho_r_given = 1;
1244 +            if (args_info->staticProps_group_counter && override)
1245 +              reset_group_staticProps (args_info);
1246 +            args_info->staticProps_group_counter += 1;
1247 +            break;
1248 +          }
1249            
1250            break;
1251          case '?':       /* Invalid option.  */

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