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root/OpenMD/branches/development/src/applications/staticProps/StaticPropsCmd.cpp
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Comparing branches/development/src/applications/staticProps/StaticPropsCmd.cpp (file contents):
Revision 1655 by gezelter, Mon Oct 3 20:32:45 2011 UTC vs.
Revision 1865 by gezelter, Wed Apr 17 18:24:08 2013 UTC

# Line 1 | Line 1
1   /*
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 52 | Line 52 | const char *gengetopt_args_info_help[] = {
52    "      --sele3=selection script  select the third stuntdouble set",
53    "      --refsele=selection script\n                                select reference (use and only use with --gxyz)",
54    "      --comsele=selection script\n                                select stunt doubles for center-of-mass \n                                  reference point",
55 +  "      --seleoffset=INT          global index offset for a second object (used \n                                  to define a vector between sites in molecule)",
56    "      --molname=STRING          molecule name",
57    "      --begin=INT               begin internal index",
58    "      --end=INT                 end internal index",
# Line 80 | Line 81 | const char *gengetopt_args_info_help[] = {
81    "      --angle_r                 angle of R",
82    "      --hullvol                 hull volume of nanoparticle",
83    "      --rodlength               length of nanorod",
84 <  "  -Q, --tet_param               tetrahedrality order parameter",
84 >  "  -Q, --tet_param               tetrahedrality order parameter (Qk)",
85 >  "      --tet_param_z             spatially-resolved tetrahedrality order \n                                  parameter Qk(z)",
86 >  "      --rnemdz                  slab-resolved RNEMD statistics (temperature, \n                                  density, velocity)",
87 >  "      --rnemdr                  shell-resolved RNEMD statistics (temperature, \n                                  density, angular velocity)",
88      0
89   };
90  
# Line 128 | Line 132 | void clear_given (struct gengetopt_args_info *args_inf
132    args_info->sele3_given = 0 ;
133    args_info->refsele_given = 0 ;
134    args_info->comsele_given = 0 ;
135 +  args_info->seleoffset_given = 0 ;
136    args_info->molname_given = 0 ;
137    args_info->begin_given = 0 ;
138    args_info->end_given = 0 ;
# Line 156 | Line 161 | void clear_given (struct gengetopt_args_info *args_inf
161    args_info->hullvol_given = 0 ;
162    args_info->rodlength_given = 0 ;
163    args_info->tet_param_given = 0 ;
164 +  args_info->tet_param_z_given = 0 ;
165 +  args_info->rnemdz_given = 0 ;
166 +  args_info->rnemdr_given = 0 ;
167    args_info->staticProps_group_counter = 0 ;
168   }
169  
# Line 195 | 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 228 | 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->count_help = gengetopt_args_info_help[28] ;
248 <  args_info->gofr_help = gengetopt_args_info_help[29] ;
249 <  args_info->gofz_help = gengetopt_args_info_help[30] ;
250 <  args_info->r_theta_help = gengetopt_args_info_help[31] ;
251 <  args_info->r_omega_help = gengetopt_args_info_help[32] ;
252 <  args_info->r_z_help = gengetopt_args_info_help[33] ;
253 <  args_info->theta_omega_help = gengetopt_args_info_help[34] ;
254 <  args_info->gxyz_help = gengetopt_args_info_help[35] ;
255 <  args_info->twodgofr_help = gengetopt_args_info_help[36] ;
256 <  args_info->p2_help = gengetopt_args_info_help[37] ;
257 <  args_info->rp2_help = gengetopt_args_info_help[38] ;
258 <  args_info->scd_help = gengetopt_args_info_help[39] ;
259 <  args_info->density_help = gengetopt_args_info_help[40] ;
260 <  args_info->slab_density_help = gengetopt_args_info_help[41] ;
261 <  args_info->p_angle_help = gengetopt_args_info_help[42] ;
262 <  args_info->hxy_help = gengetopt_args_info_help[43] ;
263 <  args_info->rho_r_help = gengetopt_args_info_help[44] ;
264 <  args_info->angle_r_help = gengetopt_args_info_help[45] ;
265 <  args_info->hullvol_help = gengetopt_args_info_help[46] ;
266 <  args_info->rodlength_help = gengetopt_args_info_help[47] ;
267 <  args_info->tet_param_help = gengetopt_args_info_help[48] ;
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 >  args_info->rnemdz_help = gengetopt_args_info_help[51] ;
271 >  args_info->rnemdr_help = gengetopt_args_info_help[52] ;
272    
273   }
274  
# Line 364 | Line 377 | cmdline_parser_release (struct gengetopt_args_info *ar
377    free_string_field (&(args_info->refsele_orig));
378    free_string_field (&(args_info->comsele_arg));
379    free_string_field (&(args_info->comsele_orig));
380 +  free_string_field (&(args_info->seleoffset_orig));
381    free_string_field (&(args_info->molname_arg));
382    free_string_field (&(args_info->molname_orig));
383    free_string_field (&(args_info->begin_orig));
# Line 444 | Line 458 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
458      write_into_file(outfile, "refsele", args_info->refsele_orig, 0);
459    if (args_info->comsele_given)
460      write_into_file(outfile, "comsele", args_info->comsele_orig, 0);
461 +  if (args_info->seleoffset_given)
462 +    write_into_file(outfile, "seleoffset", args_info->seleoffset_orig, 0);
463    if (args_info->molname_given)
464      write_into_file(outfile, "molname", args_info->molname_orig, 0);
465    if (args_info->begin_given)
# Line 500 | Line 516 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
516      write_into_file(outfile, "rodlength", 0, 0 );
517    if (args_info->tet_param_given)
518      write_into_file(outfile, "tet_param", 0, 0 );
519 +  if (args_info->tet_param_z_given)
520 +    write_into_file(outfile, "tet_param_z", 0, 0 );
521 +  if (args_info->rnemdz_given)
522 +    write_into_file(outfile, "rnemdz", 0, 0 );
523 +  if (args_info->rnemdr_given)
524 +    write_into_file(outfile, "rnemdr", 0, 0 );
525    
526  
527    i = EXIT_SUCCESS;
# Line 577 | Line 599 | reset_group_staticProps(struct gengetopt_args_info *ar
599    args_info->hullvol_given = 0 ;
600    args_info->rodlength_given = 0 ;
601    args_info->tet_param_given = 0 ;
602 +  args_info->tet_param_z_given = 0 ;
603 +  args_info->rnemdz_given = 0 ;
604 +  args_info->rnemdr_given = 0 ;
605  
606    args_info->staticProps_group_counter = 0;
607   }
# Line 842 | Line 867 | cmdline_parser_internal (
867          { "sele3",      1, NULL, 0 },
868          { "refsele",    1, NULL, 0 },
869          { "comsele",    1, NULL, 0 },
870 +        { "seleoffset", 1, NULL, 0 },
871          { "molname",    1, NULL, 0 },
872          { "begin",      1, NULL, 0 },
873          { "end",        1, NULL, 0 },
# Line 870 | Line 896 | cmdline_parser_internal (
896          { "hullvol",    0, NULL, 0 },
897          { "rodlength",  0, NULL, 0 },
898          { "tet_param",  0, NULL, 'Q' },
899 +        { "tet_param_z",        0, NULL, 0 },
900 +        { "rnemdz",     0, NULL, 0 },
901 +        { "rnemdr",     0, NULL, 0 },
902          { 0,  0, 0, 0 }
903        };
904  
# Line 1057 | Line 1086 | cmdline_parser_internal (
1086              goto failure;
1087          
1088            break;
1089 <        case 'Q':       /* tetrahedrality order parameter.  */
1089 >        case 'Q':       /* tetrahedrality order parameter (Qk).  */
1090          
1091            if (args_info->staticProps_group_counter && override)
1092              reset_group_staticProps (args_info);
# Line 1196 | Line 1225 | cmdline_parser_internal (
1225                  &(local_args_info.comsele_given), optarg, 0, 0, ARG_STRING,
1226                  check_ambiguity, override, 0, 0,
1227                  "comsele", '-',
1228 +                additional_error))
1229 +              goto failure;
1230 +          
1231 +          }
1232 +          /* global index offset for a second object (used to define a vector between sites in molecule).  */
1233 +          else if (strcmp (long_options[option_index].name, "seleoffset") == 0)
1234 +          {
1235 +          
1236 +          
1237 +            if (update_arg( (void *)&(args_info->seleoffset_arg),
1238 +                 &(args_info->seleoffset_orig), &(args_info->seleoffset_given),
1239 +                &(local_args_info.seleoffset_given), optarg, 0, 0, ARG_INT,
1240 +                check_ambiguity, override, 0, 0,
1241 +                "seleoffset", '-',
1242                  additional_error))
1243                goto failure;
1244            
# Line 1579 | Line 1622 | cmdline_parser_internal (
1622                goto failure;
1623            
1624            }
1625 +          /* spatially-resolved tetrahedrality order parameter Qk(z).  */
1626 +          else if (strcmp (long_options[option_index].name, "tet_param_z") == 0)
1627 +          {
1628 +          
1629 +            if (args_info->staticProps_group_counter && override)
1630 +              reset_group_staticProps (args_info);
1631 +            args_info->staticProps_group_counter += 1;
1632            
1633 +            if (update_arg( 0 ,
1634 +                 0 , &(args_info->tet_param_z_given),
1635 +                &(local_args_info.tet_param_z_given), optarg, 0, 0, ARG_NO,
1636 +                check_ambiguity, override, 0, 0,
1637 +                "tet_param_z", '-',
1638 +                additional_error))
1639 +              goto failure;
1640 +          
1641 +          }
1642 +          /* slab-resolved RNEMD statistics (temperature, density, velocity).  */
1643 +          else if (strcmp (long_options[option_index].name, "rnemdz") == 0)
1644 +          {
1645 +          
1646 +            if (args_info->staticProps_group_counter && override)
1647 +              reset_group_staticProps (args_info);
1648 +            args_info->staticProps_group_counter += 1;
1649 +          
1650 +            if (update_arg( 0 ,
1651 +                 0 , &(args_info->rnemdz_given),
1652 +                &(local_args_info.rnemdz_given), optarg, 0, 0, ARG_NO,
1653 +                check_ambiguity, override, 0, 0,
1654 +                "rnemdz", '-',
1655 +                additional_error))
1656 +              goto failure;
1657 +          
1658 +          }
1659 +          /* shell-resolved RNEMD statistics (temperature, density, angular velocity).  */
1660 +          else if (strcmp (long_options[option_index].name, "rnemdr") == 0)
1661 +          {
1662 +          
1663 +            if (args_info->staticProps_group_counter && override)
1664 +              reset_group_staticProps (args_info);
1665 +            args_info->staticProps_group_counter += 1;
1666 +          
1667 +            if (update_arg( 0 ,
1668 +                 0 , &(args_info->rnemdr_given),
1669 +                &(local_args_info.rnemdr_given), optarg, 0, 0, ARG_NO,
1670 +                check_ambiguity, override, 0, 0,
1671 +                "rnemdr", '-',
1672 +                additional_error))
1673 +              goto failure;
1674 +          
1675 +          }
1676 +          
1677            break;
1678          case '?':       /* Invalid option.  */
1679            /* `getopt_long' already printed an error message.  */

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