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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 1445 by chuckv, Tue Jun 8 20:26:50 2010 UTC vs.
Revision 1522 by kstocke1, Fri Nov 19 20:26:36 2010 UTC

# Line 1 | Line 1
1   /*
2    File autogenerated by gengetopt version 2.22
3    generated with the following command:
4 <  gengetopt -F StaticPropsCmd
4 >  gengetopt -F StaticPropsCmd -u
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 23 | Line 23 | const char *gengetopt_args_info_purpose = "";
23  
24   const char *gengetopt_args_info_purpose = "";
25  
26 < const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]...";
26 > const char *gengetopt_args_info_usage = "Usage: StaticProps [OPTIONS]... [FILES]...";
27  
28   const char *gengetopt_args_info_description = "";
29  
# Line 36 | Line 36 | const char *gengetopt_args_info_help[] = {
36    "  -b, --nbins=INT               number of bins (general purpose)  \n                                  (default=`100')",
37    "  -x, --nbins_x=INT             number of bins in x axis  (default=`100')",
38    "  -y, --nbins_y=INT             number of bins in y axis  (default=`100')",
39 –  "      --nbins_z=INT             number of bins in z axis  (default=`100')",
39    "  -a, --nanglebins=INT          number of bins for cos(angle)  (default=`50')",
40    "  -c, --rcut=DOUBLE             cutoff radius (rcut)",
41 +  "      --dz=DOUBLE               slab width (dz)",
42    "      --length=DOUBLE           maximum length (Defaults to 1/2 smallest length \n                                  of first frame)",
43    "      --zlength=DOUBLE          maximum length (Defaults to 1/2 smallest length \n                                  of first frame)",
44    "  -z, --zoffset=DOUBLE          Where to set the zero for the slab_density \n                                  calculation  (default=`0')",
# Line 55 | Line 55 | const char *gengetopt_args_info_help[] = {
55    "      --bo                      bond order parameter (--rcut must be specified)",
56    "      --bor                     bond order parameter as a function of radius \n                                  (--rcut must be specified)",
57    "      --bad                     N(theta) bond angle density within (--rcut must \n                                  be specified)",
58 +  "      --count                   count of molecules matching selection criteria \n                                  (and associated statistics)",
59    "  -g, --gofr                    g(r)",
60    "      --gofz                    g(z)",
61    "      --r_theta                 g(r, cos(theta))",
62    "      --r_omega                 g(r, cos(omega))",
62 –  "      --r_z                     g(r, z)",
63    "      --theta_omega             g(cos(theta), cos(omega))",
64    "      --gxyz                    g(x, y, z)",
65 +  "      --twodgofr                2D g(r) (Slab width --dz must be specified)",
66    "  -p, --p2                      p2 order parameter (--sele1 and --sele2 must be \n                                  specified)",
67    "      --rp2                     rp2 order parameter (--sele1 and --sele2 must \n                                  be specified)",
68    "  -s, --scd                     scd order parameter (either --sele1, --sele2, \n                                  --sele3 are specified or --molname, --begin, \n                                  --end are specified)",
# Line 70 | Line 71 | const char *gengetopt_args_info_help[] = {
71    "      --p_angle                 p(cos(theta))",
72    "      --hxy                     hxy",
73    "      --rho_r                   rho of R",
74 +  "      --angle_r                 angle of R",
75    "      --hullvol                 hull volume of nanoparticle",
76      0
77   };
# Line 106 | Line 108 | void clear_given (struct gengetopt_args_info *args_inf
108    args_info->nbins_given = 0 ;
109    args_info->nbins_x_given = 0 ;
110    args_info->nbins_y_given = 0 ;
109 –  args_info->nbins_z_given = 0 ;
111    args_info->nanglebins_given = 0 ;
112    args_info->rcut_given = 0 ;
113 +  args_info->dz_given = 0 ;
114    args_info->length_given = 0 ;
115    args_info->zlength_given = 0 ;
116    args_info->zoffset_given = 0 ;
# Line 124 | Line 126 | void clear_given (struct gengetopt_args_info *args_inf
126    args_info->bo_given = 0 ;
127    args_info->bor_given = 0 ;
128    args_info->bad_given = 0 ;
129 +  args_info->count_given = 0 ;
130    args_info->gofr_given = 0 ;
131    args_info->gofz_given = 0 ;
132    args_info->r_theta_given = 0 ;
133    args_info->r_omega_given = 0 ;
131 –  args_info->r_z_given = 0 ;
134    args_info->theta_omega_given = 0 ;
135    args_info->gxyz_given = 0 ;
136 +  args_info->twodgofr_given = 0 ;
137    args_info->p2_given = 0 ;
138    args_info->rp2_given = 0 ;
139    args_info->scd_given = 0 ;
# Line 139 | Line 142 | void clear_given (struct gengetopt_args_info *args_inf
142    args_info->p_angle_given = 0 ;
143    args_info->hxy_given = 0 ;
144    args_info->rho_r_given = 0 ;
145 +  args_info->angle_r_given = 0 ;
146    args_info->hullvol_given = 0 ;
147    args_info->staticProps_group_counter = 0 ;
148   }
# Line 158 | Line 162 | void clear_args (struct gengetopt_args_info *args_info
162    args_info->nbins_x_orig = NULL;
163    args_info->nbins_y_arg = 100;
164    args_info->nbins_y_orig = NULL;
161 –  args_info->nbins_z_arg = 100;
162 –  args_info->nbins_z_orig = NULL;
165    args_info->nanglebins_arg = 50;
166    args_info->nanglebins_orig = NULL;
167    args_info->rcut_orig = NULL;
168 +  args_info->dz_orig = NULL;
169    args_info->length_orig = NULL;
170    args_info->zlength_orig = NULL;
171    args_info->zoffset_arg = 0;
# Line 201 | Line 204 | void init_args_info(struct gengetopt_args_info *args_i
204    args_info->nbins_z_help = gengetopt_args_info_help[8] ;
205    args_info->nanglebins_help = gengetopt_args_info_help[9] ;
206    args_info->rcut_help = gengetopt_args_info_help[10] ;
207 <  args_info->length_help = gengetopt_args_info_help[11] ;
208 <  args_info->zlength_help = gengetopt_args_info_help[12] ;
209 <  args_info->zoffset_help = gengetopt_args_info_help[13] ;
210 <  args_info->sele1_help = gengetopt_args_info_help[14] ;
211 <  args_info->sele2_help = gengetopt_args_info_help[15] ;
212 <  args_info->sele3_help = gengetopt_args_info_help[16] ;
213 <  args_info->refsele_help = gengetopt_args_info_help[17] ;
214 <  args_info->comsele_help = gengetopt_args_info_help[18] ;
215 <  args_info->molname_help = gengetopt_args_info_help[19] ;
216 <  args_info->begin_help = gengetopt_args_info_help[20] ;
217 <  args_info->end_help = gengetopt_args_info_help[21] ;
218 <  args_info->radius_help = gengetopt_args_info_help[22] ;
219 <  args_info->bo_help = gengetopt_args_info_help[24] ;
220 <  args_info->bor_help = gengetopt_args_info_help[25] ;
221 <  args_info->bad_help = gengetopt_args_info_help[26] ;
222 <  args_info->gofr_help = gengetopt_args_info_help[27] ;
223 <  args_info->gofz_help = gengetopt_args_info_help[28] ;
224 <  args_info->r_theta_help = gengetopt_args_info_help[29] ;
225 <  args_info->r_omega_help = gengetopt_args_info_help[30] ;
226 <  args_info->r_z_help = gengetopt_args_info_help[31] ;
227 <  args_info->theta_omega_help = gengetopt_args_info_help[32] ;
228 <  args_info->gxyz_help = gengetopt_args_info_help[33] ;
229 <  args_info->p2_help = gengetopt_args_info_help[34] ;
230 <  args_info->rp2_help = gengetopt_args_info_help[35] ;
231 <  args_info->scd_help = gengetopt_args_info_help[36] ;
232 <  args_info->density_help = gengetopt_args_info_help[37] ;
233 <  args_info->slab_density_help = gengetopt_args_info_help[38] ;
234 <  args_info->p_angle_help = gengetopt_args_info_help[39] ;
235 <  args_info->hxy_help = gengetopt_args_info_help[40] ;
236 <  args_info->rho_r_help = gengetopt_args_info_help[41] ;
237 <  args_info->hullvol_help = gengetopt_args_info_help[42] ;
207 >  args_info->dz_help = gengetopt_args_info_help[11] ;
208 >  args_info->length_help = gengetopt_args_info_help[12] ;
209 >  args_info->zlength_help = gengetopt_args_info_help[13] ;
210 >  args_info->zoffset_help = gengetopt_args_info_help[14] ;
211 >  args_info->sele1_help = gengetopt_args_info_help[15] ;
212 >  args_info->sele2_help = gengetopt_args_info_help[16] ;
213 >  args_info->sele3_help = gengetopt_args_info_help[17] ;
214 >  args_info->refsele_help = gengetopt_args_info_help[18] ;
215 >  args_info->comsele_help = gengetopt_args_info_help[19] ;
216 >  args_info->molname_help = gengetopt_args_info_help[20] ;
217 >  args_info->begin_help = gengetopt_args_info_help[21] ;
218 >  args_info->end_help = gengetopt_args_info_help[22] ;
219 >  args_info->radius_help = gengetopt_args_info_help[23] ;
220 >  args_info->bo_help = gengetopt_args_info_help[25] ;
221 >  args_info->bor_help = gengetopt_args_info_help[26] ;
222 >  args_info->bad_help = gengetopt_args_info_help[27] ;
223 >  args_info->count_help = gengetopt_args_info_help[28] ;
224 >  args_info->gofr_help = gengetopt_args_info_help[29] ;
225 >  args_info->gofz_help = gengetopt_args_info_help[30] ;
226 >  args_info->r_theta_help = gengetopt_args_info_help[31] ;
227 >  args_info->r_omega_help = gengetopt_args_info_help[32] ;
228 >  args_info->r_z_help = gengetopt_args_info_help[33] ;
229 >  args_info->theta_omega_help = gengetopt_args_info_help[34] ;
230 >  args_info->gxyz_help = gengetopt_args_info_help[35] ;
231 >  args_info->twodgofr_help = gengetopt_args_info_help[36] ;
232 >  args_info->p2_help = gengetopt_args_info_help[37] ;
233 >  args_info->rp2_help = gengetopt_args_info_help[38] ;
234 >  args_info->scd_help = gengetopt_args_info_help[39] ;
235 >  args_info->density_help = gengetopt_args_info_help[40] ;
236 >  args_info->slab_density_help = gengetopt_args_info_help[41] ;
237 >  args_info->p_angle_help = gengetopt_args_info_help[42] ;
238 >  args_info->hxy_help = gengetopt_args_info_help[43] ;
239 >  args_info->rho_r_help = gengetopt_args_info_help[44] ;
240 >  args_info->hullvol_help = gengetopt_args_info_help[45] ;
241    
242   }
243  
# Line 271 | Line 277 | cmdline_parser_init (struct gengetopt_args_info *args_
277    clear_given (args_info);
278    clear_args (args_info);
279    init_args_info (args_info);
280 +
281 +  args_info->inputs = NULL;
282 +  args_info->inputs_num = 0;
283   }
284  
285   void
# Line 309 | Line 318 | cmdline_parser_release (struct gengetopt_args_info *ar
318   static void
319   cmdline_parser_release (struct gengetopt_args_info *args_info)
320   {
321 <
321 >  unsigned int i;
322    free_string_field (&(args_info->input_arg));
323    free_string_field (&(args_info->input_orig));
324    free_string_field (&(args_info->output_arg));
# Line 318 | Line 327 | cmdline_parser_release (struct gengetopt_args_info *ar
327    free_string_field (&(args_info->nbins_orig));
328    free_string_field (&(args_info->nbins_x_orig));
329    free_string_field (&(args_info->nbins_y_orig));
321 –  free_string_field (&(args_info->nbins_z_orig));
330    free_string_field (&(args_info->nanglebins_orig));
331    free_string_field (&(args_info->rcut_orig));
332 +  free_string_field (&(args_info->dz_orig));
333    free_string_field (&(args_info->length_orig));
334    free_string_field (&(args_info->zlength_orig));
335    free_string_field (&(args_info->zoffset_orig));
# Line 341 | Line 350 | cmdline_parser_release (struct gengetopt_args_info *ar
350    free_string_field (&(args_info->radius_orig));
351    
352    
353 +  for (i = 0; i < args_info->inputs_num; ++i)
354 +    free (args_info->inputs [i]);
355  
356 +  if (args_info->inputs_num)
357 +    free (args_info->inputs);
358 +
359    clear_given (args_info);
360   }
361  
# Line 384 | Line 398 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
398      write_into_file(outfile, "nbins_x", args_info->nbins_x_orig, 0);
399    if (args_info->nbins_y_given)
400      write_into_file(outfile, "nbins_y", args_info->nbins_y_orig, 0);
387 –  if (args_info->nbins_z_given)
388 –    write_into_file(outfile, "nbins_z", args_info->nbins_z_orig, 0);
401    if (args_info->nanglebins_given)
402      write_into_file(outfile, "nanglebins", args_info->nanglebins_orig, 0);
403    if (args_info->rcut_given)
404      write_into_file(outfile, "rcut", args_info->rcut_orig, 0);
405 +  if (args_info->dz_given)
406 +    write_into_file(outfile, "dz", args_info->dz_orig, 0);
407    if (args_info->length_given)
408      write_into_file(outfile, "length", args_info->length_orig, 0);
409    if (args_info->zlength_given)
# Line 420 | Line 434 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
434      write_into_file(outfile, "bor", 0, 0 );
435    if (args_info->bad_given)
436      write_into_file(outfile, "bad", 0, 0 );
437 +  if (args_info->count_given)
438 +    write_into_file(outfile, "count", 0, 0 );
439    if (args_info->gofr_given)
440      write_into_file(outfile, "gofr", 0, 0 );
441    if (args_info->gofz_given)
# Line 428 | Line 444 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
444      write_into_file(outfile, "r_theta", 0, 0 );
445    if (args_info->r_omega_given)
446      write_into_file(outfile, "r_omega", 0, 0 );
431 –  if (args_info->r_z_given)
432 –    write_into_file(outfile, "r_z", 0, 0 );
447    if (args_info->theta_omega_given)
448      write_into_file(outfile, "theta_omega", 0, 0 );
449    if (args_info->gxyz_given)
450      write_into_file(outfile, "gxyz", 0, 0 );
451 +  if (args_info->twodgofr_given)
452 +    write_into_file(outfile, "twodgofr", 0, 0 );
453    if (args_info->p2_given)
454      write_into_file(outfile, "p2", 0, 0 );
455    if (args_info->rp2_given)
# Line 450 | Line 466 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
466      write_into_file(outfile, "hxy", 0, 0 );
467    if (args_info->rho_r_given)
468      write_into_file(outfile, "rho_r", 0, 0 );
469 +  if (args_info->angle_r_given)
470 +    write_into_file(outfile, "angle_r", 0, 0 );
471    if (args_info->hullvol_given)
472      write_into_file(outfile, "hullvol", 0, 0 );
473    
# Line 508 | Line 526 | reset_group_staticProps(struct gengetopt_args_info *ar
526    args_info->bo_given = 0 ;
527    args_info->bor_given = 0 ;
528    args_info->bad_given = 0 ;
529 +  args_info->count_given = 0 ;
530    args_info->gofr_given = 0 ;
531    args_info->gofz_given = 0 ;
532    args_info->r_theta_given = 0 ;
533    args_info->r_omega_given = 0 ;
515 –  args_info->r_z_given = 0 ;
534    args_info->theta_omega_given = 0 ;
535    args_info->gxyz_given = 0 ;
536 +  args_info->twodgofr_given = 0 ;
537    args_info->p2_given = 0 ;
538    args_info->rp2_given = 0 ;
539    args_info->scd_given = 0 ;
# Line 523 | Line 542 | reset_group_staticProps(struct gengetopt_args_info *ar
542    args_info->p_angle_given = 0 ;
543    args_info->hxy_given = 0 ;
544    args_info->rho_r_given = 0 ;
545 +  args_info->angle_r_given = 0 ;
546    args_info->hullvol_given = 0 ;
547  
548    args_info->staticProps_group_counter = 0;
# Line 772 | Line 792 | cmdline_parser_internal (int argc, char * const *argv,
792          { "nbins",      1, NULL, 'b' },
793          { "nbins_x",    1, NULL, 'x' },
794          { "nbins_y",    1, NULL, 'y' },
775 –        { "nbins_z",    1, NULL, 0 },
795          { "nanglebins", 1, NULL, 'a' },
796          { "rcut",       1, NULL, 'c' },
797 +        { "dz", 1, NULL, 0 },
798          { "length",     1, NULL, 0 },
799          { "zlength",    1, NULL, 0 },
800          { "zoffset",    1, NULL, 'z' },
# Line 790 | Line 810 | cmdline_parser_internal (int argc, char * const *argv,
810          { "bo", 0, NULL, 0 },
811          { "bor",        0, NULL, 0 },
812          { "bad",        0, NULL, 0 },
813 +        { "count",      0, NULL, 0 },
814          { "gofr",       0, NULL, 'g' },
815          { "gofz",       0, NULL, 0 },
816          { "r_theta",    0, NULL, 0 },
817          { "r_omega",    0, NULL, 0 },
797 –        { "r_z",        0, NULL, 0 },
818          { "theta_omega",        0, NULL, 0 },
819          { "gxyz",       0, NULL, 0 },
820 +        { "twodgofr",   0, NULL, 0 },
821          { "p2", 0, NULL, 'p' },
822          { "rp2",        0, NULL, 0 },
823          { "scd",        0, NULL, 's' },
# Line 805 | Line 826 | cmdline_parser_internal (int argc, char * const *argv,
826          { "p_angle",    0, NULL, 0 },
827          { "hxy",        0, NULL, 0 },
828          { "rho_r",      0, NULL, 0 },
829 +        { "angle_r",    0, NULL, 0 },
830          { "hullvol",    0, NULL, 0 },
831          { NULL, 0, NULL, 0 }
832        };
# Line 995 | Line 1017 | cmdline_parser_internal (int argc, char * const *argv,
1017            break;
1018  
1019          case 0: /* Long option with no short option */
1020 <          /* number of bins in z axis.  */
1021 <          if (strcmp (long_options[option_index].name, "nbins_z") == 0)
1020 >          /* slab width (dz).  */
1021 >          else if (strcmp (long_options[option_index].name, "dz") == 0)
1022            {
1023            
1024            
1025 <            if (update_arg( (void *)&(args_info->nbins_z_arg),
1026 <                 &(args_info->nbins_z_orig), &(args_info->nbins_z_given),
1027 <                &(local_args_info.nbins_z_given), optarg, 0, "100", ARG_INT,
1025 >            if (update_arg( (void *)&(args_info->dz_arg),
1026 >                 &(args_info->dz_orig), &(args_info->dz_given),
1027 >                &(local_args_info.dz_given), optarg, 0, 0, ARG_DOUBLE,
1028                  check_ambiguity, override, 0, 0,
1029 <                "nbins_z", '-',
1029 >                "dz", '-',
1030                  additional_error))
1031                goto failure;
1032            
1033            }
1034            /* maximum length (Defaults to 1/2 smallest length of first frame).  */
1035 <          else if (strcmp (long_options[option_index].name, "length") == 0)
1035 >          if (strcmp (long_options[option_index].name, "length") == 0)
1036            {
1037            
1038            
# Line 1210 | Line 1232 | cmdline_parser_internal (int argc, char * const *argv,
1232                  &(local_args_info.bad_given), optarg, 0, 0, ARG_NO,
1233                  check_ambiguity, override, 0, 0,
1234                  "bad", '-',
1235 +                additional_error))
1236 +              goto failure;
1237 +          
1238 +          }
1239 +          /* count of molecules matching selection criteria (and associated statistics).  */
1240 +          else if (strcmp (long_options[option_index].name, "count") == 0)
1241 +          {
1242 +          
1243 +            if (args_info->staticProps_group_counter && override)
1244 +              reset_group_staticProps (args_info);
1245 +            args_info->staticProps_group_counter += 1;
1246 +          
1247 +            if (update_arg( 0 ,
1248 +                 0 , &(args_info->count_given),
1249 +                &(local_args_info.count_given), optarg, 0, 0, ARG_NO,
1250 +                check_ambiguity, override, 0, 0,
1251 +                "count", '-',
1252                  additional_error))
1253                goto failure;
1254            
# Line 1265 | Line 1304 | cmdline_parser_internal (int argc, char * const *argv,
1304                goto failure;
1305            
1306            }
1307 <          /* g(r, z).  */
1308 <          else if (strcmp (long_options[option_index].name, "r_z") == 0)
1307 >          /* g(cos(theta), cos(omega)).  */
1308 >          else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
1309            {
1310            
1311              if (args_info->staticProps_group_counter && override)
# Line 1274 | Line 1313 | cmdline_parser_internal (int argc, char * const *argv,
1313              args_info->staticProps_group_counter += 1;
1314            
1315              if (update_arg( 0 ,
1316 <                 0 , &(args_info->r_z_given),
1317 <                &(local_args_info.r_z_given), optarg, 0, 0, ARG_NO,
1316 >                 0 , &(args_info->theta_omega_given),
1317 >                &(local_args_info.theta_omega_given), optarg, 0, 0, ARG_NO,
1318                  check_ambiguity, override, 0, 0,
1319 <                "r_z", '-',
1319 >                "theta_omega", '-',
1320                  additional_error))
1321                goto failure;
1322            
1323            }
1324 <          /* g(cos(theta), cos(omega)).  */
1325 <          else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
1324 >          /* g(x, y, z).  */
1325 >          else if (strcmp (long_options[option_index].name, "gxyz") == 0)
1326            {
1327            
1328              if (args_info->staticProps_group_counter && override)
# Line 1291 | Line 1330 | cmdline_parser_internal (int argc, char * const *argv,
1330              args_info->staticProps_group_counter += 1;
1331            
1332              if (update_arg( 0 ,
1333 <                 0 , &(args_info->theta_omega_given),
1334 <                &(local_args_info.theta_omega_given), optarg, 0, 0, ARG_NO,
1333 >                 0 , &(args_info->gxyz_given),
1334 >                &(local_args_info.gxyz_given), optarg, 0, 0, ARG_NO,
1335                  check_ambiguity, override, 0, 0,
1336 <                "theta_omega", '-',
1336 >                "gxyz", '-',
1337                  additional_error))
1338                goto failure;
1339            
1340            }
1341 <          /* g(x, y, z).  */
1342 <          else if (strcmp (long_options[option_index].name, "gxyz") == 0)
1341 >          /* 2D g(r) (Slab width --dz must be specified).  */
1342 >          else if (strcmp (long_options[option_index].name, "twodgofr") == 0)
1343            {
1344            
1345              if (args_info->staticProps_group_counter && override)
# Line 1308 | Line 1347 | cmdline_parser_internal (int argc, char * const *argv,
1347              args_info->staticProps_group_counter += 1;
1348            
1349              if (update_arg( 0 ,
1350 <                 0 , &(args_info->gxyz_given),
1351 <                &(local_args_info.gxyz_given), optarg, 0, 0, ARG_NO,
1350 >                 0 , &(args_info->twodgofr_given),
1351 >                &(local_args_info.twodgofr_given), optarg, 0, 0, ARG_NO,
1352                  check_ambiguity, override, 0, 0,
1353 <                "gxyz", '-',
1353 >                "twodgofr", '-',
1354                  additional_error))
1355                goto failure;
1356            
# Line 1401 | Line 1440 | cmdline_parser_internal (int argc, char * const *argv,
1440                goto failure;
1441            
1442            }
1443 +          /* angle of R.  */
1444 +          else if (strcmp (long_options[option_index].name, "angle_r") == 0)
1445 +          {
1446 +          
1447 +            if (args_info->staticProps_group_counter && override)
1448 +              reset_group_staticProps (args_info);
1449 +            args_info->staticProps_group_counter += 1;
1450 +          
1451 +            if (update_arg( 0 ,
1452 +                 0 , &(args_info->angle_r_given),
1453 +                &(local_args_info.angle_r_given), optarg, 0, 0, ARG_NO,
1454 +                check_ambiguity, override, 0, 0,
1455 +                "angle_r", '-',
1456 +                additional_error))
1457 +              goto failure;
1458 +          
1459 +          }
1460            /* hull volume of nanoparticle.  */
1461            else if (strcmp (long_options[option_index].name, "hullvol") == 0)
1462            {
# Line 1448 | Line 1504 | cmdline_parser_internal (int argc, char * const *argv,
1504    if ( error )
1505      return (EXIT_FAILURE);
1506  
1507 +  if (optind < argc)
1508 +    {
1509 +      int i = 0 ;
1510 +      int found_prog_name = 0;
1511 +      /* whether program name, i.e., argv[0], is in the remaining args
1512 +         (this may happen with some implementations of getopt,
1513 +          but surely not with the one included by gengetopt) */
1514 +
1515 +      i = optind;
1516 +      while (i < argc)
1517 +        if (argv[i++] == argv[0]) {
1518 +          found_prog_name = 1;
1519 +          break;
1520 +        }
1521 +      i = 0;
1522 +
1523 +      args_info->inputs_num = argc - optind - found_prog_name;
1524 +      args_info->inputs =
1525 +        (char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ;
1526 +      while (optind < argc)
1527 +        if (argv[optind++] != argv[0])
1528 +          args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ;
1529 +    }
1530 +
1531    return 0;
1532  
1533   failure:

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