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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 1522 by kstocke1, Fri Nov 19 20:26:36 2010 UTC vs.
Revision 1531 by kstocke1, Wed Dec 29 16:48:19 2010 UTC

# Line 1 | Line 1
1   /*
2 <  File autogenerated by gengetopt version 2.22
2 >  File autogenerated by gengetopt version 2.22.4
3    generated with the following command:
4    gengetopt -F StaticPropsCmd -u
5  
# Line 17 | Line 17
17   #include <stdlib.h>
18   #include <string.h>
19  
20 < #include "getopt.h"
20 > #ifndef FIX_UNUSED
21 > #define FIX_UNUSED(X) (void) (X) /* avoid warnings for unused params */
22 > #endif
23  
24 + #include <getopt.h>
25 +
26   #include "StaticPropsCmd.h"
27  
28   const char *gengetopt_args_info_purpose = "";
# Line 36 | Line 40 | const char *gengetopt_args_info_help[] = {
40    "  -b, --nbins=INT               number of bins (general purpose)  \n                                  (default=`100')",
41    "  -x, --nbins_x=INT             number of bins in x axis  (default=`100')",
42    "  -y, --nbins_y=INT             number of bins in y axis  (default=`100')",
43 +  "      --nbins_z=INT             number of bins in z axis  (default=`100')",
44    "  -a, --nanglebins=INT          number of bins for cos(angle)  (default=`50')",
45    "  -c, --rcut=DOUBLE             cutoff radius (rcut)",
46    "      --dz=DOUBLE               slab width (dz)",
# Line 60 | Line 65 | const char *gengetopt_args_info_help[] = {
65    "      --gofz                    g(z)",
66    "      --r_theta                 g(r, cos(theta))",
67    "      --r_omega                 g(r, cos(omega))",
68 +  "      --r_z                     g(r, z)",
69    "      --theta_omega             g(cos(theta), cos(omega))",
70    "      --gxyz                    g(x, y, z)",
71    "      --twodgofr                2D g(r) (Slab width --dz must be specified)",
# Line 73 | Line 79 | const char *gengetopt_args_info_help[] = {
79    "      --rho_r                   rho of R",
80    "      --angle_r                 angle of R",
81    "      --hullvol                 hull volume of nanoparticle",
82 +  "  -Q, --tet_param               tetrahedrality order parameter",
83      0
84   };
85  
# Line 88 | Line 95 | static int
95   void clear_args (struct gengetopt_args_info *args_info);
96  
97   static int
98 < cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
98 > cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info,
99                          struct cmdline_parser_params *params, const char *additional_error);
100  
101   static int
# Line 108 | Line 115 | void clear_given (struct gengetopt_args_info *args_inf
115    args_info->nbins_given = 0 ;
116    args_info->nbins_x_given = 0 ;
117    args_info->nbins_y_given = 0 ;
118 +  args_info->nbins_z_given = 0 ;
119    args_info->nanglebins_given = 0 ;
120    args_info->rcut_given = 0 ;
121    args_info->dz_given = 0 ;
# Line 131 | Line 139 | void clear_given (struct gengetopt_args_info *args_inf
139    args_info->gofz_given = 0 ;
140    args_info->r_theta_given = 0 ;
141    args_info->r_omega_given = 0 ;
142 +  args_info->r_z_given = 0 ;
143    args_info->theta_omega_given = 0 ;
144    args_info->gxyz_given = 0 ;
145    args_info->twodgofr_given = 0 ;
# Line 144 | Line 153 | void clear_given (struct gengetopt_args_info *args_inf
153    args_info->rho_r_given = 0 ;
154    args_info->angle_r_given = 0 ;
155    args_info->hullvol_given = 0 ;
156 +  args_info->tet_param_given = 0 ;
157    args_info->staticProps_group_counter = 0 ;
158   }
159  
160   static
161   void clear_args (struct gengetopt_args_info *args_info)
162   {
163 +  FIX_UNUSED (args_info);
164    args_info->input_arg = NULL;
165    args_info->input_orig = NULL;
166    args_info->output_arg = NULL;
# Line 162 | Line 173 | void clear_args (struct gengetopt_args_info *args_info
173    args_info->nbins_x_orig = NULL;
174    args_info->nbins_y_arg = 100;
175    args_info->nbins_y_orig = NULL;
176 +  args_info->nbins_z_arg = 100;
177 +  args_info->nbins_z_orig = NULL;
178    args_info->nanglebins_arg = 50;
179    args_info->nanglebins_orig = NULL;
180    args_info->rcut_orig = NULL;
# Line 237 | Line 250 | void init_args_info(struct gengetopt_args_info *args_i
250    args_info->p_angle_help = gengetopt_args_info_help[42] ;
251    args_info->hxy_help = gengetopt_args_info_help[43] ;
252    args_info->rho_r_help = gengetopt_args_info_help[44] ;
253 <  args_info->hullvol_help = gengetopt_args_info_help[45] ;
253 >  args_info->angle_r_help = gengetopt_args_info_help[45] ;
254 >  args_info->hullvol_help = gengetopt_args_info_help[46] ;
255 >  args_info->tet_param_help = gengetopt_args_info_help[47] ;
256    
257   }
258  
259   void
260   cmdline_parser_print_version (void)
261   {
262 <  printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
262 >  printf ("%s %s\n",
263 >     (strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
264 >     CMDLINE_PARSER_VERSION);
265   }
266  
267   static void print_help_common(void) {
# Line 259 | Line 276 | static void print_help_common(void) {
276    printf("\n");
277  
278    if (strlen(gengetopt_args_info_description) > 0)
279 <    printf("%s\n", gengetopt_args_info_description);
279 >    printf("%s\n\n", gengetopt_args_info_description);
280   }
281  
282   void
# Line 278 | Line 295 | cmdline_parser_init (struct gengetopt_args_info *args_
295    clear_args (args_info);
296    init_args_info (args_info);
297  
298 <  args_info->inputs = NULL;
298 >  args_info->inputs = 0;
299    args_info->inputs_num = 0;
300   }
301  
# Line 327 | Line 344 | cmdline_parser_release (struct gengetopt_args_info *ar
344    free_string_field (&(args_info->nbins_orig));
345    free_string_field (&(args_info->nbins_x_orig));
346    free_string_field (&(args_info->nbins_y_orig));
347 +  free_string_field (&(args_info->nbins_z_orig));
348    free_string_field (&(args_info->nanglebins_orig));
349    free_string_field (&(args_info->rcut_orig));
350    free_string_field (&(args_info->dz_orig));
# Line 361 | Line 379 | static void
379  
380  
381   static void
382 < write_into_file(FILE *outfile, const char *opt, const char *arg, char *values[])
382 > write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[])
383   {
384 +  FIX_UNUSED (values);
385    if (arg) {
386      fprintf(outfile, "%s=\"%s\"\n", opt, arg);
387    } else {
# Line 398 | Line 417 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
417      write_into_file(outfile, "nbins_x", args_info->nbins_x_orig, 0);
418    if (args_info->nbins_y_given)
419      write_into_file(outfile, "nbins_y", args_info->nbins_y_orig, 0);
420 +  if (args_info->nbins_z_given)
421 +    write_into_file(outfile, "nbins_z", args_info->nbins_z_orig, 0);
422    if (args_info->nanglebins_given)
423      write_into_file(outfile, "nanglebins", args_info->nanglebins_orig, 0);
424    if (args_info->rcut_given)
# Line 444 | Line 465 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
465      write_into_file(outfile, "r_theta", 0, 0 );
466    if (args_info->r_omega_given)
467      write_into_file(outfile, "r_omega", 0, 0 );
468 +  if (args_info->r_z_given)
469 +    write_into_file(outfile, "r_z", 0, 0 );
470    if (args_info->theta_omega_given)
471      write_into_file(outfile, "theta_omega", 0, 0 );
472    if (args_info->gxyz_given)
# Line 470 | Line 493 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
493      write_into_file(outfile, "angle_r", 0, 0 );
494    if (args_info->hullvol_given)
495      write_into_file(outfile, "hullvol", 0, 0 );
496 +  if (args_info->tet_param_given)
497 +    write_into_file(outfile, "tet_param", 0, 0 );
498    
499  
500    i = EXIT_SUCCESS;
# Line 506 | Line 531 | gengetopt_strdup (const char *s)
531   char *
532   gengetopt_strdup (const char *s)
533   {
534 <  char *result = NULL;
534 >  char *result = 0;
535    if (!s)
536      return result;
537  
# Line 531 | Line 556 | reset_group_staticProps(struct gengetopt_args_info *ar
556    args_info->gofz_given = 0 ;
557    args_info->r_theta_given = 0 ;
558    args_info->r_omega_given = 0 ;
559 +  args_info->r_z_given = 0 ;
560    args_info->theta_omega_given = 0 ;
561    args_info->gxyz_given = 0 ;
562    args_info->twodgofr_given = 0 ;
# Line 544 | Line 570 | reset_group_staticProps(struct gengetopt_args_info *ar
570    args_info->rho_r_given = 0 ;
571    args_info->angle_r_given = 0 ;
572    args_info->hullvol_given = 0 ;
573 +  args_info->tet_param_given = 0 ;
574  
575    args_info->staticProps_group_counter = 0;
576   }
577  
578   int
579 < cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
579 > cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info)
580   {
581    return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
582   }
583  
584   int
585 < cmdline_parser_ext (int argc, char * const *argv, struct gengetopt_args_info *args_info,
585 > cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info,
586                     struct cmdline_parser_params *params)
587   {
588    int result;
589 <  result = cmdline_parser_internal (argc, argv, args_info, params, NULL);
589 >  result = cmdline_parser_internal (argc, argv, args_info, params, 0);
590  
591    if (result == EXIT_FAILURE)
592      {
# Line 571 | Line 598 | int
598   }
599  
600   int
601 < cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
601 > cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
602   {
603    int result;
604    struct cmdline_parser_params params;
# Line 582 | Line 609 | cmdline_parser2 (int argc, char * const *argv, struct
609    params.check_ambiguity = 0;
610    params.print_errors = 1;
611  
612 <  result = cmdline_parser_internal (argc, argv, args_info, &params, NULL);
612 >  result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
613  
614    if (result == EXIT_FAILURE)
615      {
# Line 598 | Line 625 | cmdline_parser_required (struct gengetopt_args_info *a
625   {
626    int result = EXIT_SUCCESS;
627  
628 <  if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
628 >  if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
629      result = EXIT_FAILURE;
630  
631    if (result == EXIT_FAILURE)
# Line 614 | Line 641 | cmdline_parser_required2 (struct gengetopt_args_info *
641   cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
642   {
643    int error = 0;
644 +  FIX_UNUSED (additional_error);
645  
646    /* checks for required options */
647    if (! args_info->input_given)
# Line 624 | Line 652 | cmdline_parser_required2 (struct gengetopt_args_info *
652    
653    if (args_info->staticProps_group_counter == 0)
654      {
655 <      fprintf (stderr, "%s: %d options of group staticProps were given. One is required.%s\n", prog_name, args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
655 >      fprintf (stderr, "%s: %d options of group staticProps were given. One is required%s.\n", prog_name, args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
656        error = 1;
657      }
658    
# Line 658 | Line 686 | int update_arg(void *field, char **orig_field,
686   static
687   int update_arg(void *field, char **orig_field,
688                 unsigned int *field_given, unsigned int *prev_given,
689 <               char *value, char *possible_values[], const char *default_value,
689 >               char *value, const char *possible_values[],
690 >               const char *default_value,
691                 cmdline_parser_arg_type arg_type,
692                 int check_ambiguity, int override,
693                 int no_free, int multiple_option,
# Line 669 | Line 698 | int update_arg(void *field, char **orig_field,
698    const char *val = value;
699    int found;
700    char **string_field;
701 +  FIX_UNUSED (field);
702  
703    stop_char = 0;
704    found = 0;
# Line 686 | Line 716 | int update_arg(void *field, char **orig_field,
716        return 1; /* failure */
717      }
718  
719 +  FIX_UNUSED (default_value);
720      
721    if (field_given && *field_given && ! override)
722      return 0;
# Line 749 | Line 780 | int
780  
781  
782   int
783 < cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
783 > cmdline_parser_internal (
784 >  int argc, char **argv, struct gengetopt_args_info *args_info,
785                          struct cmdline_parser_params *params, const char *additional_error)
786   {
787    int c;        /* Character of the parsed option.  */
# Line 792 | Line 824 | cmdline_parser_internal (int argc, char * const *argv,
824          { "nbins",      1, NULL, 'b' },
825          { "nbins_x",    1, NULL, 'x' },
826          { "nbins_y",    1, NULL, 'y' },
827 +        { "nbins_z",    1, NULL, 0 },
828          { "nanglebins", 1, NULL, 'a' },
829          { "rcut",       1, NULL, 'c' },
830          { "dz", 1, NULL, 0 },
# Line 815 | Line 848 | cmdline_parser_internal (int argc, char * const *argv,
848          { "gofz",       0, NULL, 0 },
849          { "r_theta",    0, NULL, 0 },
850          { "r_omega",    0, NULL, 0 },
851 +        { "r_z",        0, NULL, 0 },
852          { "theta_omega",        0, NULL, 0 },
853          { "gxyz",       0, NULL, 0 },
854          { "twodgofr",   0, NULL, 0 },
# Line 828 | Line 862 | cmdline_parser_internal (int argc, char * const *argv,
862          { "rho_r",      0, NULL, 0 },
863          { "angle_r",    0, NULL, 0 },
864          { "hullvol",    0, NULL, 0 },
865 <        { NULL, 0, NULL, 0 }
865 >        { "tet_param",  0, NULL, 'Q' },
866 >        { 0,  0, 0, 0 }
867        };
868  
869 <      c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsd", long_options, &option_index);
869 >      c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsdQ", long_options, &option_index);
870  
871        if (c == -1) break;       /* Exit from `while (1)' loop.  */
872  
# Line 1015 | Line 1050 | cmdline_parser_internal (int argc, char * const *argv,
1050              goto failure;
1051          
1052            break;
1053 +        case 'Q':       /* tetrahedrality order parameter.  */
1054 +        
1055 +          if (args_info->staticProps_group_counter && override)
1056 +            reset_group_staticProps (args_info);
1057 +          args_info->staticProps_group_counter += 1;
1058 +        
1059 +          if (update_arg( 0 ,
1060 +               0 , &(args_info->tet_param_given),
1061 +              &(local_args_info.tet_param_given), optarg, 0, 0, ARG_NO,
1062 +              check_ambiguity, override, 0, 0,
1063 +              "tet_param", 'Q',
1064 +              additional_error))
1065 +            goto failure;
1066 +        
1067 +          break;
1068  
1069          case 0: /* Long option with no short option */
1070 +          /* number of bins in z axis.  */
1071 +          if (strcmp (long_options[option_index].name, "nbins_z") == 0)
1072 +          {
1073 +          
1074 +          
1075 +            if (update_arg( (void *)&(args_info->nbins_z_arg),
1076 +                 &(args_info->nbins_z_orig), &(args_info->nbins_z_given),
1077 +                &(local_args_info.nbins_z_given), optarg, 0, "100", ARG_INT,
1078 +                check_ambiguity, override, 0, 0,
1079 +                "nbins_z", '-',
1080 +                additional_error))
1081 +              goto failure;
1082 +          
1083 +          }
1084            /* slab width (dz).  */
1085            else if (strcmp (long_options[option_index].name, "dz") == 0)
1086            {
# Line 1032 | Line 1096 | cmdline_parser_internal (int argc, char * const *argv,
1096            
1097            }
1098            /* maximum length (Defaults to 1/2 smallest length of first frame).  */
1099 <          if (strcmp (long_options[option_index].name, "length") == 0)
1099 >          else if (strcmp (long_options[option_index].name, "length") == 0)
1100            {
1101            
1102            
# Line 1300 | Line 1364 | cmdline_parser_internal (int argc, char * const *argv,
1364                  &(local_args_info.r_omega_given), optarg, 0, 0, ARG_NO,
1365                  check_ambiguity, override, 0, 0,
1366                  "r_omega", '-',
1367 +                additional_error))
1368 +              goto failure;
1369 +          
1370 +          }
1371 +          /* g(r, z).  */
1372 +          else if (strcmp (long_options[option_index].name, "r_z") == 0)
1373 +          {
1374 +          
1375 +            if (args_info->staticProps_group_counter && override)
1376 +              reset_group_staticProps (args_info);
1377 +            args_info->staticProps_group_counter += 1;
1378 +          
1379 +            if (update_arg( 0 ,
1380 +                 0 , &(args_info->r_z_given),
1381 +                &(local_args_info.r_z_given), optarg, 0, 0, ARG_NO,
1382 +                check_ambiguity, override, 0, 0,
1383 +                "r_z", '-',
1384                  additional_error))
1385                goto failure;
1386            
# Line 1488 | Line 1569 | cmdline_parser_internal (int argc, char * const *argv,
1569  
1570    if (args_info->staticProps_group_counter > 1)
1571      {
1572 <      fprintf (stderr, "%s: %d options of group staticProps were given. One is required.%s\n", argv[0], args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
1572 >      fprintf (stderr, "%s: %d options of group staticProps were given. One is required%s.\n", argv[0], args_info->staticProps_group_counter, (additional_error ? additional_error : ""));
1573        error = 1;
1574      }
1575    

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