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root/OpenMD/trunk/src/applications/staticProps/StaticPropsCmd.cpp
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Comparing trunk/src/applications/staticProps/StaticPropsCmd.cpp (file contents):
Revision 1795 by gezelter, Fri Sep 7 18:13:55 2012 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

# Line 1 | Line 1
1   /*
2    File autogenerated by gengetopt version 2.22.4
3    generated with the following command:
4 <  gengetopt -i StaticProps.ggo -c cpp -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 56 | 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 84 | Line 85 | const char *gengetopt_args_info_help[] = {
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)",
88 >  "  -Q, --tet_param               tetrahedrality order parameter (Qk)",
89 >  "      --tet_param_z             spatially-resolved tetrahedrality order \n                                  parameter Qk(z)",
90 >  "      --rnemdz                  slab-resolved RNEMD statistics (temperature, \n                                  density, velocity)",
91 >  "      --rnemdr                  shell-resolved RNEMD statistics (temperature, \n                                  density, angular velocity)",
92      0
93   };
94  
# Line 133 | Line 136 | void clear_given (struct gengetopt_args_info *args_inf
136    args_info->sele3_given = 0 ;
137    args_info->refsele_given = 0 ;
138    args_info->comsele_given = 0 ;
139 +  args_info->seleoffset_given = 0 ;
140    args_info->molname_given = 0 ;
141    args_info->begin_given = 0 ;
142    args_info->end_given = 0 ;
# Line 162 | Line 166 | void clear_given (struct gengetopt_args_info *args_inf
166    args_info->rodlength_given = 0 ;
167    args_info->tet_param_given = 0 ;
168    args_info->tet_param_z_given = 0 ;
169 +  args_info->rnemdz_given = 0 ;
170 +  args_info->rnemdr_given = 0 ;
171    args_info->staticProps_group_counter = 0 ;
172   }
173  
# Line 201 | Line 207 | void clear_args (struct gengetopt_args_info *args_info
207    args_info->refsele_orig = NULL;
208    args_info->comsele_arg = NULL;
209    args_info->comsele_orig = NULL;
210 +  args_info->seleoffset_orig = NULL;
211    args_info->molname_arg = NULL;
212    args_info->molname_orig = NULL;
213    args_info->begin_orig = NULL;
# Line 234 | Line 241 | void init_args_info(struct gengetopt_args_info *args_i
241    args_info->sele3_help = gengetopt_args_info_help[17] ;
242    args_info->refsele_help = gengetopt_args_info_help[18] ;
243    args_info->comsele_help = gengetopt_args_info_help[19] ;
244 <  args_info->molname_help = gengetopt_args_info_help[20] ;
245 <  args_info->begin_help = gengetopt_args_info_help[21] ;
246 <  args_info->end_help = gengetopt_args_info_help[22] ;
247 <  args_info->radius_help = gengetopt_args_info_help[23] ;
248 <  args_info->bo_help = gengetopt_args_info_help[25] ;
249 <  args_info->bor_help = gengetopt_args_info_help[26] ;
250 <  args_info->bad_help = gengetopt_args_info_help[27] ;
251 <  args_info->count_help = gengetopt_args_info_help[28] ;
252 <  args_info->gofr_help = gengetopt_args_info_help[29] ;
253 <  args_info->gofz_help = gengetopt_args_info_help[30] ;
254 <  args_info->r_theta_help = gengetopt_args_info_help[31] ;
255 <  args_info->r_omega_help = gengetopt_args_info_help[32] ;
256 <  args_info->r_z_help = gengetopt_args_info_help[33] ;
257 <  args_info->theta_omega_help = gengetopt_args_info_help[34] ;
258 <  args_info->gxyz_help = gengetopt_args_info_help[35] ;
259 <  args_info->twodgofr_help = gengetopt_args_info_help[36] ;
260 <  args_info->p2_help = gengetopt_args_info_help[37] ;
261 <  args_info->rp2_help = gengetopt_args_info_help[38] ;
262 <  args_info->scd_help = gengetopt_args_info_help[39] ;
263 <  args_info->density_help = gengetopt_args_info_help[40] ;
264 <  args_info->slab_density_help = gengetopt_args_info_help[41] ;
265 <  args_info->p_angle_help = gengetopt_args_info_help[42] ;
266 <  args_info->hxy_help = gengetopt_args_info_help[43] ;
267 <  args_info->rho_r_help = gengetopt_args_info_help[44] ;
268 <  args_info->angle_r_help = gengetopt_args_info_help[45] ;
269 <  args_info->hullvol_help = gengetopt_args_info_help[46] ;
270 <  args_info->rodlength_help = gengetopt_args_info_help[47] ;
271 <  args_info->tet_param_help = gengetopt_args_info_help[48] ;
272 <  args_info->tet_param_z_help = gengetopt_args_info_help[49] ;
244 >  args_info->seleoffset_help = gengetopt_args_info_help[20] ;
245 >  args_info->molname_help = gengetopt_args_info_help[21] ;
246 >  args_info->begin_help = gengetopt_args_info_help[22] ;
247 >  args_info->end_help = gengetopt_args_info_help[23] ;
248 >  args_info->radius_help = gengetopt_args_info_help[24] ;
249 >  args_info->bo_help = gengetopt_args_info_help[26] ;
250 >  args_info->bor_help = gengetopt_args_info_help[27] ;
251 >  args_info->bad_help = gengetopt_args_info_help[28] ;
252 >  args_info->count_help = gengetopt_args_info_help[29] ;
253 >  args_info->gofr_help = gengetopt_args_info_help[30] ;
254 >  args_info->gofz_help = gengetopt_args_info_help[31] ;
255 >  args_info->r_theta_help = gengetopt_args_info_help[32] ;
256 >  args_info->r_omega_help = gengetopt_args_info_help[33] ;
257 >  args_info->r_z_help = gengetopt_args_info_help[34] ;
258 >  args_info->theta_omega_help = gengetopt_args_info_help[35] ;
259 >  args_info->gxyz_help = gengetopt_args_info_help[36] ;
260 >  args_info->twodgofr_help = gengetopt_args_info_help[37] ;
261 >  args_info->p2_help = gengetopt_args_info_help[38] ;
262 >  args_info->rp2_help = gengetopt_args_info_help[39] ;
263 >  args_info->scd_help = gengetopt_args_info_help[40] ;
264 >  args_info->density_help = gengetopt_args_info_help[41] ;
265 >  args_info->slab_density_help = gengetopt_args_info_help[42] ;
266 >  args_info->p_angle_help = gengetopt_args_info_help[43] ;
267 >  args_info->hxy_help = gengetopt_args_info_help[44] ;
268 >  args_info->rho_r_help = gengetopt_args_info_help[45] ;
269 >  args_info->angle_r_help = gengetopt_args_info_help[46] ;
270 >  args_info->hullvol_help = gengetopt_args_info_help[47] ;
271 >  args_info->rodlength_help = gengetopt_args_info_help[48] ;
272 >  args_info->tet_param_help = gengetopt_args_info_help[49] ;
273 >  args_info->tet_param_z_help = gengetopt_args_info_help[50] ;
274 >  args_info->rnemdz_help = gengetopt_args_info_help[51] ;
275 >  args_info->rnemdr_help = gengetopt_args_info_help[52] ;
276    
277   }
278  
# Line 371 | Line 381 | cmdline_parser_release (struct gengetopt_args_info *ar
381    free_string_field (&(args_info->refsele_orig));
382    free_string_field (&(args_info->comsele_arg));
383    free_string_field (&(args_info->comsele_orig));
384 +  free_string_field (&(args_info->seleoffset_orig));
385    free_string_field (&(args_info->molname_arg));
386    free_string_field (&(args_info->molname_orig));
387    free_string_field (&(args_info->begin_orig));
# Line 451 | Line 462 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
462      write_into_file(outfile, "refsele", args_info->refsele_orig, 0);
463    if (args_info->comsele_given)
464      write_into_file(outfile, "comsele", args_info->comsele_orig, 0);
465 +  if (args_info->seleoffset_given)
466 +    write_into_file(outfile, "seleoffset", args_info->seleoffset_orig, 0);
467    if (args_info->molname_given)
468      write_into_file(outfile, "molname", args_info->molname_orig, 0);
469    if (args_info->begin_given)
# Line 509 | Line 522 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
522      write_into_file(outfile, "tet_param", 0, 0 );
523    if (args_info->tet_param_z_given)
524      write_into_file(outfile, "tet_param_z", 0, 0 );
525 +  if (args_info->rnemdz_given)
526 +    write_into_file(outfile, "rnemdz", 0, 0 );
527 +  if (args_info->rnemdr_given)
528 +    write_into_file(outfile, "rnemdr", 0, 0 );
529    
530  
531    i = EXIT_SUCCESS;
# Line 587 | Line 604 | reset_group_staticProps(struct gengetopt_args_info *ar
604    args_info->rodlength_given = 0 ;
605    args_info->tet_param_given = 0 ;
606    args_info->tet_param_z_given = 0 ;
607 +  args_info->rnemdz_given = 0 ;
608 +  args_info->rnemdr_given = 0 ;
609  
610    args_info->staticProps_group_counter = 0;
611   }
# Line 852 | Line 871 | cmdline_parser_internal (
871          { "sele3",      1, NULL, 0 },
872          { "refsele",    1, NULL, 0 },
873          { "comsele",    1, NULL, 0 },
874 +        { "seleoffset", 1, NULL, 0 },
875          { "molname",    1, NULL, 0 },
876          { "begin",      1, NULL, 0 },
877          { "end",        1, NULL, 0 },
# Line 881 | Line 901 | cmdline_parser_internal (
901          { "rodlength",  0, NULL, 0 },
902          { "tet_param",  0, NULL, 'Q' },
903          { "tet_param_z",        0, NULL, 0 },
904 +        { "rnemdz",     0, NULL, 0 },
905 +        { "rnemdr",     0, NULL, 0 },
906          { 0,  0, 0, 0 }
907        };
908  
# Line 1068 | Line 1090 | cmdline_parser_internal (
1090              goto failure;
1091          
1092            break;
1093 <        case 'Q':       /* tetrahedrality order parameter.  */
1093 >        case 'Q':       /* tetrahedrality order parameter (Qk).  */
1094          
1095            if (args_info->staticProps_group_counter && override)
1096              reset_group_staticProps (args_info);
# Line 1207 | Line 1229 | cmdline_parser_internal (
1229                  &(local_args_info.comsele_given), optarg, 0, 0, ARG_STRING,
1230                  check_ambiguity, override, 0, 0,
1231                  "comsele", '-',
1232 +                additional_error))
1233 +              goto failure;
1234 +          
1235 +          }
1236 +          /* global index offset for a second object (used to define a vector between sites in molecule).  */
1237 +          else if (strcmp (long_options[option_index].name, "seleoffset") == 0)
1238 +          {
1239 +          
1240 +          
1241 +            if (update_arg( (void *)&(args_info->seleoffset_arg),
1242 +                 &(args_info->seleoffset_orig), &(args_info->seleoffset_given),
1243 +                &(local_args_info.seleoffset_given), optarg, 0, 0, ARG_INT,
1244 +                check_ambiguity, override, 0, 0,
1245 +                "seleoffset", '-',
1246                  additional_error))
1247                goto failure;
1248            
# Line 1590 | Line 1626 | cmdline_parser_internal (
1626                goto failure;
1627            
1628            }
1629 <          /* tetrahedrality order parameter by zbin(--sele1 must be specified).  */
1629 >          /* spatially-resolved tetrahedrality order parameter Qk(z).  */
1630            else if (strcmp (long_options[option_index].name, "tet_param_z") == 0)
1631            {
1632            
# Line 1607 | Line 1643 | cmdline_parser_internal (
1643                goto failure;
1644            
1645            }
1646 +          /* slab-resolved RNEMD statistics (temperature, density, velocity).  */
1647 +          else if (strcmp (long_options[option_index].name, "rnemdz") == 0)
1648 +          {
1649            
1650 +            if (args_info->staticProps_group_counter && override)
1651 +              reset_group_staticProps (args_info);
1652 +            args_info->staticProps_group_counter += 1;
1653 +          
1654 +            if (update_arg( 0 ,
1655 +                 0 , &(args_info->rnemdz_given),
1656 +                &(local_args_info.rnemdz_given), optarg, 0, 0, ARG_NO,
1657 +                check_ambiguity, override, 0, 0,
1658 +                "rnemdz", '-',
1659 +                additional_error))
1660 +              goto failure;
1661 +          
1662 +          }
1663 +          /* shell-resolved RNEMD statistics (temperature, density, angular velocity).  */
1664 +          else if (strcmp (long_options[option_index].name, "rnemdr") == 0)
1665 +          {
1666 +          
1667 +            if (args_info->staticProps_group_counter && override)
1668 +              reset_group_staticProps (args_info);
1669 +            args_info->staticProps_group_counter += 1;
1670 +          
1671 +            if (update_arg( 0 ,
1672 +                 0 , &(args_info->rnemdr_given),
1673 +                &(local_args_info.rnemdr_given), optarg, 0, 0, ARG_NO,
1674 +                check_ambiguity, override, 0, 0,
1675 +                "rnemdr", '-',
1676 +                additional_error))
1677 +              goto failure;
1678 +          
1679 +          }
1680 +          
1681            break;
1682          case '?':       /* Invalid option.  */
1683            /* `getopt_long' already printed an error message.  */

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