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root/OpenMD/branches/development/src/applications/staticProps/StaticPropsCmd.cpp
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Comparing:
trunk/src/applications/staticProps/StaticPropsCmd.c (file contents), Revision 1454 by gezelter, Wed Jun 23 19:25:02 2010 UTC vs.
branches/development/src/applications/staticProps/StaticPropsCmd.cpp (file contents), Revision 1832 by gezelter, Thu Jan 10 18:15:02 2013 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
4 >  gengetopt --file-name=StaticPropsCmd --unamed-opts
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 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 + #ifdef WIN32
25 + #include "utils/wingetopt.h"
26 + #else
27 + #include <getopt.h>
28 + #endif
29 +
30   #include "StaticPropsCmd.h"
31  
32   const char *gengetopt_args_info_purpose = "";
# Line 48 | Line 56 | const char *gengetopt_args_info_help[] = {
56    "      --sele3=selection script  select the third stuntdouble set",
57    "      --refsele=selection script\n                                select reference (use and only use with --gxyz)",
58    "      --comsele=selection script\n                                select stunt doubles for center-of-mass \n                                  reference point",
59 +  "      --seleoffset=INT          global index offset for a second object (used \n                                  to define a vector between sites in molecule)",
60    "      --molname=STRING          molecule name",
61    "      --begin=INT               begin internal index",
62    "      --end=INT                 end internal index",
# Line 56 | Line 65 | const char *gengetopt_args_info_help[] = {
65    "      --bo                      bond order parameter (--rcut must be specified)",
66    "      --bor                     bond order parameter as a function of radius \n                                  (--rcut must be specified)",
67    "      --bad                     N(theta) bond angle density within (--rcut must \n                                  be specified)",
68 +  "      --count                   count of molecules matching selection criteria \n                                  (and associated statistics)",
69    "  -g, --gofr                    g(r)",
70    "      --gofz                    g(z)",
71    "      --r_theta                 g(r, cos(theta))",
# Line 64 | Line 74 | const char *gengetopt_args_info_help[] = {
74    "      --theta_omega             g(cos(theta), cos(omega))",
75    "      --gxyz                    g(x, y, z)",
76    "      --twodgofr                2D g(r) (Slab width --dz must be specified)",
77 <  "  -p, --p2                      p2 order parameter (--sele1 and --sele2 must be \n                                  specified)",
77 >  "  -p, --p2                      p2 order parameter (--sele1 must be specified, \n                                  --sele2 is optional)",
78    "      --rp2                     rp2 order parameter (--sele1 and --sele2 must \n                                  be specified)",
79    "  -s, --scd                     scd order parameter (either --sele1, --sele2, \n                                  --sele3 are specified or --molname, --begin, \n                                  --end are specified)",
80    "  -d, --density                 density plot",
# Line 72 | Line 82 | const char *gengetopt_args_info_help[] = {
82    "      --p_angle                 p(cos(theta))",
83    "      --hxy                     hxy",
84    "      --rho_r                   rho of R",
85 +  "      --angle_r                 angle of R",
86    "      --hullvol                 hull volume of nanoparticle",
87 +  "      --rodlength               length of nanorod",
88 +  "  -Q, --tet_param               tetrahedrality order parameter",
89 +  "      --tet_param_z             tetrahedrality order parameter by zbin(--sele1 \n                                  must be specified)",
90      0
91   };
92  
# Line 88 | Line 102 | static int
102   void clear_args (struct gengetopt_args_info *args_info);
103  
104   static int
105 < cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
105 > cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info,
106                          struct cmdline_parser_params *params, const char *additional_error);
107  
108   static int
# Line 120 | Line 134 | void clear_given (struct gengetopt_args_info *args_inf
134    args_info->sele3_given = 0 ;
135    args_info->refsele_given = 0 ;
136    args_info->comsele_given = 0 ;
137 +  args_info->seleoffset_given = 0 ;
138    args_info->molname_given = 0 ;
139    args_info->begin_given = 0 ;
140    args_info->end_given = 0 ;
# Line 127 | Line 142 | void clear_given (struct gengetopt_args_info *args_inf
142    args_info->bo_given = 0 ;
143    args_info->bor_given = 0 ;
144    args_info->bad_given = 0 ;
145 +  args_info->count_given = 0 ;
146    args_info->gofr_given = 0 ;
147    args_info->gofz_given = 0 ;
148    args_info->r_theta_given = 0 ;
# Line 143 | Line 159 | void clear_given (struct gengetopt_args_info *args_inf
159    args_info->p_angle_given = 0 ;
160    args_info->hxy_given = 0 ;
161    args_info->rho_r_given = 0 ;
162 +  args_info->angle_r_given = 0 ;
163    args_info->hullvol_given = 0 ;
164 +  args_info->rodlength_given = 0 ;
165 +  args_info->tet_param_given = 0 ;
166 +  args_info->tet_param_z_given = 0 ;
167    args_info->staticProps_group_counter = 0 ;
168   }
169  
170   static
171   void clear_args (struct gengetopt_args_info *args_info)
172   {
173 +  FIX_UNUSED (args_info);
174    args_info->input_arg = NULL;
175    args_info->input_orig = NULL;
176    args_info->output_arg = NULL;
# Line 182 | Line 203 | void clear_args (struct gengetopt_args_info *args_info
203    args_info->refsele_orig = NULL;
204    args_info->comsele_arg = NULL;
205    args_info->comsele_orig = NULL;
206 +  args_info->seleoffset_orig = NULL;
207    args_info->molname_arg = NULL;
208    args_info->molname_orig = NULL;
209    args_info->begin_orig = NULL;
# Line 215 | Line 237 | void init_args_info(struct gengetopt_args_info *args_i
237    args_info->sele3_help = gengetopt_args_info_help[17] ;
238    args_info->refsele_help = gengetopt_args_info_help[18] ;
239    args_info->comsele_help = gengetopt_args_info_help[19] ;
240 <  args_info->molname_help = gengetopt_args_info_help[20] ;
241 <  args_info->begin_help = gengetopt_args_info_help[21] ;
242 <  args_info->end_help = gengetopt_args_info_help[22] ;
243 <  args_info->radius_help = gengetopt_args_info_help[23] ;
244 <  args_info->bo_help = gengetopt_args_info_help[25] ;
245 <  args_info->bor_help = gengetopt_args_info_help[26] ;
246 <  args_info->bad_help = gengetopt_args_info_help[27] ;
247 <  args_info->gofr_help = gengetopt_args_info_help[28] ;
248 <  args_info->gofz_help = gengetopt_args_info_help[29] ;
249 <  args_info->r_theta_help = gengetopt_args_info_help[30] ;
250 <  args_info->r_omega_help = gengetopt_args_info_help[31] ;
251 <  args_info->r_z_help = gengetopt_args_info_help[32] ;
252 <  args_info->theta_omega_help = gengetopt_args_info_help[33] ;
253 <  args_info->gxyz_help = gengetopt_args_info_help[34] ;
254 <  args_info->twodgofr_help = gengetopt_args_info_help[35] ;
255 <  args_info->p2_help = gengetopt_args_info_help[36] ;
256 <  args_info->rp2_help = gengetopt_args_info_help[37] ;
257 <  args_info->scd_help = gengetopt_args_info_help[38] ;
258 <  args_info->density_help = gengetopt_args_info_help[39] ;
259 <  args_info->slab_density_help = gengetopt_args_info_help[40] ;
260 <  args_info->p_angle_help = gengetopt_args_info_help[41] ;
261 <  args_info->hxy_help = gengetopt_args_info_help[42] ;
262 <  args_info->rho_r_help = gengetopt_args_info_help[43] ;
263 <  args_info->hullvol_help = gengetopt_args_info_help[44] ;
240 >  args_info->seleoffset_help = gengetopt_args_info_help[20] ;
241 >  args_info->molname_help = gengetopt_args_info_help[21] ;
242 >  args_info->begin_help = gengetopt_args_info_help[22] ;
243 >  args_info->end_help = gengetopt_args_info_help[23] ;
244 >  args_info->radius_help = gengetopt_args_info_help[24] ;
245 >  args_info->bo_help = gengetopt_args_info_help[26] ;
246 >  args_info->bor_help = gengetopt_args_info_help[27] ;
247 >  args_info->bad_help = gengetopt_args_info_help[28] ;
248 >  args_info->count_help = gengetopt_args_info_help[29] ;
249 >  args_info->gofr_help = gengetopt_args_info_help[30] ;
250 >  args_info->gofz_help = gengetopt_args_info_help[31] ;
251 >  args_info->r_theta_help = gengetopt_args_info_help[32] ;
252 >  args_info->r_omega_help = gengetopt_args_info_help[33] ;
253 >  args_info->r_z_help = gengetopt_args_info_help[34] ;
254 >  args_info->theta_omega_help = gengetopt_args_info_help[35] ;
255 >  args_info->gxyz_help = gengetopt_args_info_help[36] ;
256 >  args_info->twodgofr_help = gengetopt_args_info_help[37] ;
257 >  args_info->p2_help = gengetopt_args_info_help[38] ;
258 >  args_info->rp2_help = gengetopt_args_info_help[39] ;
259 >  args_info->scd_help = gengetopt_args_info_help[40] ;
260 >  args_info->density_help = gengetopt_args_info_help[41] ;
261 >  args_info->slab_density_help = gengetopt_args_info_help[42] ;
262 >  args_info->p_angle_help = gengetopt_args_info_help[43] ;
263 >  args_info->hxy_help = gengetopt_args_info_help[44] ;
264 >  args_info->rho_r_help = gengetopt_args_info_help[45] ;
265 >  args_info->angle_r_help = gengetopt_args_info_help[46] ;
266 >  args_info->hullvol_help = gengetopt_args_info_help[47] ;
267 >  args_info->rodlength_help = gengetopt_args_info_help[48] ;
268 >  args_info->tet_param_help = gengetopt_args_info_help[49] ;
269 >  args_info->tet_param_z_help = gengetopt_args_info_help[50] ;
270    
271   }
272  
273   void
274   cmdline_parser_print_version (void)
275   {
276 <  printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
276 >  printf ("%s %s\n",
277 >     (strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE),
278 >     CMDLINE_PARSER_VERSION);
279   }
280  
281   static void print_help_common(void) {
# Line 260 | Line 290 | static void print_help_common(void) {
290    printf("\n");
291  
292    if (strlen(gengetopt_args_info_description) > 0)
293 <    printf("%s\n", gengetopt_args_info_description);
293 >    printf("%s\n\n", gengetopt_args_info_description);
294   }
295  
296   void
# Line 279 | Line 309 | cmdline_parser_init (struct gengetopt_args_info *args_
309    clear_args (args_info);
310    init_args_info (args_info);
311  
312 <  args_info->inputs = NULL;
312 >  args_info->inputs = 0;
313    args_info->inputs_num = 0;
314   }
315  
# Line 345 | Line 375 | cmdline_parser_release (struct gengetopt_args_info *ar
375    free_string_field (&(args_info->refsele_orig));
376    free_string_field (&(args_info->comsele_arg));
377    free_string_field (&(args_info->comsele_orig));
378 +  free_string_field (&(args_info->seleoffset_orig));
379    free_string_field (&(args_info->molname_arg));
380    free_string_field (&(args_info->molname_orig));
381    free_string_field (&(args_info->begin_orig));
# Line 363 | Line 394 | static void
394  
395  
396   static void
397 < write_into_file(FILE *outfile, const char *opt, const char *arg, char *values[])
397 > write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[])
398   {
399 +  FIX_UNUSED (values);
400    if (arg) {
401      fprintf(outfile, "%s=\"%s\"\n", opt, arg);
402    } else {
# Line 424 | Line 456 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
456      write_into_file(outfile, "refsele", args_info->refsele_orig, 0);
457    if (args_info->comsele_given)
458      write_into_file(outfile, "comsele", args_info->comsele_orig, 0);
459 +  if (args_info->seleoffset_given)
460 +    write_into_file(outfile, "seleoffset", args_info->seleoffset_orig, 0);
461    if (args_info->molname_given)
462      write_into_file(outfile, "molname", args_info->molname_orig, 0);
463    if (args_info->begin_given)
# Line 438 | Line 472 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
472      write_into_file(outfile, "bor", 0, 0 );
473    if (args_info->bad_given)
474      write_into_file(outfile, "bad", 0, 0 );
475 +  if (args_info->count_given)
476 +    write_into_file(outfile, "count", 0, 0 );
477    if (args_info->gofr_given)
478      write_into_file(outfile, "gofr", 0, 0 );
479    if (args_info->gofz_given)
# Line 470 | Line 506 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
506      write_into_file(outfile, "hxy", 0, 0 );
507    if (args_info->rho_r_given)
508      write_into_file(outfile, "rho_r", 0, 0 );
509 +  if (args_info->angle_r_given)
510 +    write_into_file(outfile, "angle_r", 0, 0 );
511    if (args_info->hullvol_given)
512      write_into_file(outfile, "hullvol", 0, 0 );
513 +  if (args_info->rodlength_given)
514 +    write_into_file(outfile, "rodlength", 0, 0 );
515 +  if (args_info->tet_param_given)
516 +    write_into_file(outfile, "tet_param", 0, 0 );
517 +  if (args_info->tet_param_z_given)
518 +    write_into_file(outfile, "tet_param_z", 0, 0 );
519    
520  
521    i = EXIT_SUCCESS;
# Line 508 | Line 552 | gengetopt_strdup (const char *s)
552   char *
553   gengetopt_strdup (const char *s)
554   {
555 <  char *result = NULL;
555 >  char *result = 0;
556    if (!s)
557      return result;
558  
# Line 528 | Line 572 | reset_group_staticProps(struct gengetopt_args_info *ar
572    args_info->bo_given = 0 ;
573    args_info->bor_given = 0 ;
574    args_info->bad_given = 0 ;
575 +  args_info->count_given = 0 ;
576    args_info->gofr_given = 0 ;
577    args_info->gofz_given = 0 ;
578    args_info->r_theta_given = 0 ;
# Line 544 | Line 589 | reset_group_staticProps(struct gengetopt_args_info *ar
589    args_info->p_angle_given = 0 ;
590    args_info->hxy_given = 0 ;
591    args_info->rho_r_given = 0 ;
592 +  args_info->angle_r_given = 0 ;
593    args_info->hullvol_given = 0 ;
594 +  args_info->rodlength_given = 0 ;
595 +  args_info->tet_param_given = 0 ;
596 +  args_info->tet_param_z_given = 0 ;
597  
598    args_info->staticProps_group_counter = 0;
599   }
600  
601   int
602 < cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
602 > cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info)
603   {
604    return cmdline_parser2 (argc, argv, args_info, 0, 1, 1);
605   }
606  
607   int
608 < cmdline_parser_ext (int argc, char * const *argv, struct gengetopt_args_info *args_info,
608 > cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info,
609                     struct cmdline_parser_params *params)
610   {
611    int result;
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 572 | Line 621 | int
621   }
622  
623   int
624 < cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
624 > cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
625   {
626    int result;
627    struct cmdline_parser_params params;
# Line 583 | Line 632 | cmdline_parser2 (int argc, char * const *argv, struct
632    params.check_ambiguity = 0;
633    params.print_errors = 1;
634  
635 <  result = cmdline_parser_internal (argc, argv, args_info, &params, NULL);
635 >  result = cmdline_parser_internal (argc, argv, args_info, &params, 0);
636  
637    if (result == EXIT_FAILURE)
638      {
# Line 599 | Line 648 | cmdline_parser_required (struct gengetopt_args_info *a
648   {
649    int result = EXIT_SUCCESS;
650  
651 <  if (cmdline_parser_required2(args_info, prog_name, NULL) > 0)
651 >  if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
652      result = EXIT_FAILURE;
653  
654    if (result == EXIT_FAILURE)
# Line 615 | Line 664 | cmdline_parser_required2 (struct gengetopt_args_info *
664   cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error)
665   {
666    int error = 0;
667 +  FIX_UNUSED (additional_error);
668  
669    /* checks for required options */
670    if (! args_info->input_given)
# Line 625 | Line 675 | cmdline_parser_required2 (struct gengetopt_args_info *
675    
676    if (args_info->staticProps_group_counter == 0)
677      {
678 <      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 : ""));
678 >      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 : ""));
679        error = 1;
680      }
681    
# Line 659 | Line 709 | int update_arg(void *field, char **orig_field,
709   static
710   int update_arg(void *field, char **orig_field,
711                 unsigned int *field_given, unsigned int *prev_given,
712 <               char *value, char *possible_values[], const char *default_value,
712 >               char *value, const char *possible_values[],
713 >               const char *default_value,
714                 cmdline_parser_arg_type arg_type,
715                 int check_ambiguity, int override,
716                 int no_free, int multiple_option,
# Line 670 | Line 721 | int update_arg(void *field, char **orig_field,
721    const char *val = value;
722    int found;
723    char **string_field;
724 +  FIX_UNUSED (field);
725  
726    stop_char = 0;
727    found = 0;
# Line 687 | Line 739 | int update_arg(void *field, char **orig_field,
739        return 1; /* failure */
740      }
741  
742 +  FIX_UNUSED (default_value);
743      
744    if (field_given && *field_given && ! override)
745      return 0;
# Line 750 | Line 803 | int
803  
804  
805   int
806 < cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info,
806 > cmdline_parser_internal (
807 >  int argc, char **argv, struct gengetopt_args_info *args_info,
808                          struct cmdline_parser_params *params, const char *additional_error)
809   {
810    int c;        /* Character of the parsed option.  */
# Line 805 | Line 859 | cmdline_parser_internal (int argc, char * const *argv,
859          { "sele3",      1, NULL, 0 },
860          { "refsele",    1, NULL, 0 },
861          { "comsele",    1, NULL, 0 },
862 +        { "seleoffset", 1, NULL, 0 },
863          { "molname",    1, NULL, 0 },
864          { "begin",      1, NULL, 0 },
865          { "end",        1, NULL, 0 },
# Line 812 | Line 867 | cmdline_parser_internal (int argc, char * const *argv,
867          { "bo", 0, NULL, 0 },
868          { "bor",        0, NULL, 0 },
869          { "bad",        0, NULL, 0 },
870 +        { "count",      0, NULL, 0 },
871          { "gofr",       0, NULL, 'g' },
872          { "gofz",       0, NULL, 0 },
873          { "r_theta",    0, NULL, 0 },
# Line 828 | Line 884 | cmdline_parser_internal (int argc, char * const *argv,
884          { "p_angle",    0, NULL, 0 },
885          { "hxy",        0, NULL, 0 },
886          { "rho_r",      0, NULL, 0 },
887 +        { "angle_r",    0, NULL, 0 },
888          { "hullvol",    0, NULL, 0 },
889 <        { NULL, 0, NULL, 0 }
889 >        { "rodlength",  0, NULL, 0 },
890 >        { "tet_param",  0, NULL, 'Q' },
891 >        { "tet_param_z",        0, NULL, 0 },
892 >        { 0,  0, 0, 0 }
893        };
894  
895 <      c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsd", long_options, &option_index);
895 >      c = getopt_long (argc, argv, "hVi:o:n:b:x:y:a:c:z:gpsdQ", long_options, &option_index);
896  
897        if (c == -1) break;       /* Exit from `while (1)' loop.  */
898  
# Line 971 | Line 1031 | cmdline_parser_internal (int argc, char * const *argv,
1031              goto failure;
1032          
1033            break;
1034 <        case 'p':       /* p2 order parameter (--sele1 and --sele2 must be specified).  */
1034 >        case 'p':       /* p2 order parameter (--sele1 must be specified, --sele2 is optional).  */
1035          
1036            if (args_info->staticProps_group_counter && override)
1037              reset_group_staticProps (args_info);
# Line 1012 | Line 1072 | cmdline_parser_internal (int argc, char * const *argv,
1072                &(local_args_info.density_given), optarg, 0, 0, ARG_NO,
1073                check_ambiguity, override, 0, 0,
1074                "density", 'd',
1075 +              additional_error))
1076 +            goto failure;
1077 +        
1078 +          break;
1079 +        case 'Q':       /* tetrahedrality order parameter.  */
1080 +        
1081 +          if (args_info->staticProps_group_counter && override)
1082 +            reset_group_staticProps (args_info);
1083 +          args_info->staticProps_group_counter += 1;
1084 +        
1085 +          if (update_arg( 0 ,
1086 +               0 , &(args_info->tet_param_given),
1087 +              &(local_args_info.tet_param_given), optarg, 0, 0, ARG_NO,
1088 +              check_ambiguity, override, 0, 0,
1089 +              "tet_param", 'Q',
1090                additional_error))
1091              goto failure;
1092          
# Line 1144 | Line 1219 | cmdline_parser_internal (int argc, char * const *argv,
1219                goto failure;
1220            
1221            }
1222 +          /* global index offset for a second object (used to define a vector between sites in molecule).  */
1223 +          else if (strcmp (long_options[option_index].name, "seleoffset") == 0)
1224 +          {
1225 +          
1226 +          
1227 +            if (update_arg( (void *)&(args_info->seleoffset_arg),
1228 +                 &(args_info->seleoffset_orig), &(args_info->seleoffset_given),
1229 +                &(local_args_info.seleoffset_given), optarg, 0, 0, ARG_INT,
1230 +                check_ambiguity, override, 0, 0,
1231 +                "seleoffset", '-',
1232 +                additional_error))
1233 +              goto failure;
1234 +          
1235 +          }
1236            /* molecule name.  */
1237            else if (strcmp (long_options[option_index].name, "molname") == 0)
1238            {
# Line 1251 | Line 1340 | cmdline_parser_internal (int argc, char * const *argv,
1340                goto failure;
1341            
1342            }
1343 +          /* count of molecules matching selection criteria (and associated statistics).  */
1344 +          else if (strcmp (long_options[option_index].name, "count") == 0)
1345 +          {
1346 +          
1347 +            if (args_info->staticProps_group_counter && override)
1348 +              reset_group_staticProps (args_info);
1349 +            args_info->staticProps_group_counter += 1;
1350 +          
1351 +            if (update_arg( 0 ,
1352 +                 0 , &(args_info->count_given),
1353 +                &(local_args_info.count_given), optarg, 0, 0, ARG_NO,
1354 +                check_ambiguity, override, 0, 0,
1355 +                "count", '-',
1356 +                additional_error))
1357 +              goto failure;
1358 +          
1359 +          }
1360            /* g(z).  */
1361            else if (strcmp (long_options[option_index].name, "gofz") == 0)
1362            {
# Line 1455 | Line 1561 | cmdline_parser_internal (int argc, char * const *argv,
1561                goto failure;
1562            
1563            }
1564 +          /* angle of R.  */
1565 +          else if (strcmp (long_options[option_index].name, "angle_r") == 0)
1566 +          {
1567 +          
1568 +            if (args_info->staticProps_group_counter && override)
1569 +              reset_group_staticProps (args_info);
1570 +            args_info->staticProps_group_counter += 1;
1571 +          
1572 +            if (update_arg( 0 ,
1573 +                 0 , &(args_info->angle_r_given),
1574 +                &(local_args_info.angle_r_given), optarg, 0, 0, ARG_NO,
1575 +                check_ambiguity, override, 0, 0,
1576 +                "angle_r", '-',
1577 +                additional_error))
1578 +              goto failure;
1579 +          
1580 +          }
1581            /* hull volume of nanoparticle.  */
1582            else if (strcmp (long_options[option_index].name, "hullvol") == 0)
1583            {
# Line 1468 | Line 1591 | cmdline_parser_internal (int argc, char * const *argv,
1591                  &(local_args_info.hullvol_given), optarg, 0, 0, ARG_NO,
1592                  check_ambiguity, override, 0, 0,
1593                  "hullvol", '-',
1594 +                additional_error))
1595 +              goto failure;
1596 +          
1597 +          }
1598 +          /* length of nanorod.  */
1599 +          else if (strcmp (long_options[option_index].name, "rodlength") == 0)
1600 +          {
1601 +          
1602 +            if (args_info->staticProps_group_counter && override)
1603 +              reset_group_staticProps (args_info);
1604 +            args_info->staticProps_group_counter += 1;
1605 +          
1606 +            if (update_arg( 0 ,
1607 +                 0 , &(args_info->rodlength_given),
1608 +                &(local_args_info.rodlength_given), optarg, 0, 0, ARG_NO,
1609 +                check_ambiguity, override, 0, 0,
1610 +                "rodlength", '-',
1611                  additional_error))
1612                goto failure;
1613            
1614            }
1615 +          /* tetrahedrality order parameter by zbin(--sele1 must be specified).  */
1616 +          else if (strcmp (long_options[option_index].name, "tet_param_z") == 0)
1617 +          {
1618            
1619 +            if (args_info->staticProps_group_counter && override)
1620 +              reset_group_staticProps (args_info);
1621 +            args_info->staticProps_group_counter += 1;
1622 +          
1623 +            if (update_arg( 0 ,
1624 +                 0 , &(args_info->tet_param_z_given),
1625 +                &(local_args_info.tet_param_z_given), optarg, 0, 0, ARG_NO,
1626 +                check_ambiguity, override, 0, 0,
1627 +                "tet_param_z", '-',
1628 +                additional_error))
1629 +              goto failure;
1630 +          
1631 +          }
1632 +          
1633            break;
1634          case '?':       /* Invalid option.  */
1635            /* `getopt_long' already printed an error message.  */
# Line 1486 | Line 1643 | cmdline_parser_internal (int argc, char * const *argv,
1643  
1644    if (args_info->staticProps_group_counter > 1)
1645      {
1646 <      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 : ""));
1646 >      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 : ""));
1647        error = 1;
1648      }
1649    

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