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root/OpenMD/trunk/src/applications/staticProps/StaticPropsCmd.cpp
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Comparing:
branches/development/src/applications/staticProps/StaticPropsCmd.c (file contents), Revision 1629 by gezelter, Wed Sep 14 21:15:17 2011 UTC vs.
trunk/src/applications/staticProps/StaticPropsCmd.cpp (file contents), Revision 1843 by gezelter, Tue Jan 29 20:58:08 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      0
87   };
88  
# Line 128 | Line 130 | void clear_given (struct gengetopt_args_info *args_inf
130    args_info->sele3_given = 0 ;
131    args_info->refsele_given = 0 ;
132    args_info->comsele_given = 0 ;
133 +  args_info->seleoffset_given = 0 ;
134    args_info->molname_given = 0 ;
135    args_info->begin_given = 0 ;
136    args_info->end_given = 0 ;
# Line 156 | Line 159 | void clear_given (struct gengetopt_args_info *args_inf
159    args_info->hullvol_given = 0 ;
160    args_info->rodlength_given = 0 ;
161    args_info->tet_param_given = 0 ;
162 +  args_info->tet_param_z_given = 0 ;
163    args_info->staticProps_group_counter = 0 ;
164   }
165  
# Line 195 | Line 199 | void clear_args (struct gengetopt_args_info *args_info
199    args_info->refsele_orig = NULL;
200    args_info->comsele_arg = NULL;
201    args_info->comsele_orig = NULL;
202 +  args_info->seleoffset_orig = NULL;
203    args_info->molname_arg = NULL;
204    args_info->molname_orig = NULL;
205    args_info->begin_orig = NULL;
# Line 228 | Line 233 | void init_args_info(struct gengetopt_args_info *args_i
233    args_info->sele3_help = gengetopt_args_info_help[17] ;
234    args_info->refsele_help = gengetopt_args_info_help[18] ;
235    args_info->comsele_help = gengetopt_args_info_help[19] ;
236 <  args_info->molname_help = gengetopt_args_info_help[20] ;
237 <  args_info->begin_help = gengetopt_args_info_help[21] ;
238 <  args_info->end_help = gengetopt_args_info_help[22] ;
239 <  args_info->radius_help = gengetopt_args_info_help[23] ;
240 <  args_info->bo_help = gengetopt_args_info_help[25] ;
241 <  args_info->bor_help = gengetopt_args_info_help[26] ;
242 <  args_info->bad_help = gengetopt_args_info_help[27] ;
243 <  args_info->count_help = gengetopt_args_info_help[28] ;
244 <  args_info->gofr_help = gengetopt_args_info_help[29] ;
245 <  args_info->gofz_help = gengetopt_args_info_help[30] ;
246 <  args_info->r_theta_help = gengetopt_args_info_help[31] ;
247 <  args_info->r_omega_help = gengetopt_args_info_help[32] ;
248 <  args_info->r_z_help = gengetopt_args_info_help[33] ;
249 <  args_info->theta_omega_help = gengetopt_args_info_help[34] ;
250 <  args_info->gxyz_help = gengetopt_args_info_help[35] ;
251 <  args_info->twodgofr_help = gengetopt_args_info_help[36] ;
252 <  args_info->p2_help = gengetopt_args_info_help[37] ;
253 <  args_info->rp2_help = gengetopt_args_info_help[38] ;
254 <  args_info->scd_help = gengetopt_args_info_help[39] ;
255 <  args_info->density_help = gengetopt_args_info_help[40] ;
256 <  args_info->slab_density_help = gengetopt_args_info_help[41] ;
257 <  args_info->p_angle_help = gengetopt_args_info_help[42] ;
258 <  args_info->hxy_help = gengetopt_args_info_help[43] ;
259 <  args_info->rho_r_help = gengetopt_args_info_help[44] ;
260 <  args_info->angle_r_help = gengetopt_args_info_help[45] ;
261 <  args_info->hullvol_help = gengetopt_args_info_help[46] ;
262 <  args_info->rodlength_help = gengetopt_args_info_help[47] ;
263 <  args_info->tet_param_help = gengetopt_args_info_help[48] ;
236 >  args_info->seleoffset_help = gengetopt_args_info_help[20] ;
237 >  args_info->molname_help = gengetopt_args_info_help[21] ;
238 >  args_info->begin_help = gengetopt_args_info_help[22] ;
239 >  args_info->end_help = gengetopt_args_info_help[23] ;
240 >  args_info->radius_help = gengetopt_args_info_help[24] ;
241 >  args_info->bo_help = gengetopt_args_info_help[26] ;
242 >  args_info->bor_help = gengetopt_args_info_help[27] ;
243 >  args_info->bad_help = gengetopt_args_info_help[28] ;
244 >  args_info->count_help = gengetopt_args_info_help[29] ;
245 >  args_info->gofr_help = gengetopt_args_info_help[30] ;
246 >  args_info->gofz_help = gengetopt_args_info_help[31] ;
247 >  args_info->r_theta_help = gengetopt_args_info_help[32] ;
248 >  args_info->r_omega_help = gengetopt_args_info_help[33] ;
249 >  args_info->r_z_help = gengetopt_args_info_help[34] ;
250 >  args_info->theta_omega_help = gengetopt_args_info_help[35] ;
251 >  args_info->gxyz_help = gengetopt_args_info_help[36] ;
252 >  args_info->twodgofr_help = gengetopt_args_info_help[37] ;
253 >  args_info->p2_help = gengetopt_args_info_help[38] ;
254 >  args_info->rp2_help = gengetopt_args_info_help[39] ;
255 >  args_info->scd_help = gengetopt_args_info_help[40] ;
256 >  args_info->density_help = gengetopt_args_info_help[41] ;
257 >  args_info->slab_density_help = gengetopt_args_info_help[42] ;
258 >  args_info->p_angle_help = gengetopt_args_info_help[43] ;
259 >  args_info->hxy_help = gengetopt_args_info_help[44] ;
260 >  args_info->rho_r_help = gengetopt_args_info_help[45] ;
261 >  args_info->angle_r_help = gengetopt_args_info_help[46] ;
262 >  args_info->hullvol_help = gengetopt_args_info_help[47] ;
263 >  args_info->rodlength_help = gengetopt_args_info_help[48] ;
264 >  args_info->tet_param_help = gengetopt_args_info_help[49] ;
265 >  args_info->tet_param_z_help = gengetopt_args_info_help[50] ;
266    
267   }
268  
# Line 364 | Line 371 | cmdline_parser_release (struct gengetopt_args_info *ar
371    free_string_field (&(args_info->refsele_orig));
372    free_string_field (&(args_info->comsele_arg));
373    free_string_field (&(args_info->comsele_orig));
374 +  free_string_field (&(args_info->seleoffset_orig));
375    free_string_field (&(args_info->molname_arg));
376    free_string_field (&(args_info->molname_orig));
377    free_string_field (&(args_info->begin_orig));
# Line 444 | Line 452 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
452      write_into_file(outfile, "refsele", args_info->refsele_orig, 0);
453    if (args_info->comsele_given)
454      write_into_file(outfile, "comsele", args_info->comsele_orig, 0);
455 +  if (args_info->seleoffset_given)
456 +    write_into_file(outfile, "seleoffset", args_info->seleoffset_orig, 0);
457    if (args_info->molname_given)
458      write_into_file(outfile, "molname", args_info->molname_orig, 0);
459    if (args_info->begin_given)
# Line 500 | Line 510 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
510      write_into_file(outfile, "rodlength", 0, 0 );
511    if (args_info->tet_param_given)
512      write_into_file(outfile, "tet_param", 0, 0 );
513 +  if (args_info->tet_param_z_given)
514 +    write_into_file(outfile, "tet_param_z", 0, 0 );
515    
516  
517    i = EXIT_SUCCESS;
# Line 577 | Line 589 | reset_group_staticProps(struct gengetopt_args_info *ar
589    args_info->hullvol_given = 0 ;
590    args_info->rodlength_given = 0 ;
591    args_info->tet_param_given = 0 ;
592 +  args_info->tet_param_z_given = 0 ;
593  
594    args_info->staticProps_group_counter = 0;
595   }
# Line 842 | Line 855 | cmdline_parser_internal (
855          { "sele3",      1, NULL, 0 },
856          { "refsele",    1, NULL, 0 },
857          { "comsele",    1, NULL, 0 },
858 +        { "seleoffset", 1, NULL, 0 },
859          { "molname",    1, NULL, 0 },
860          { "begin",      1, NULL, 0 },
861          { "end",        1, NULL, 0 },
# Line 870 | Line 884 | cmdline_parser_internal (
884          { "hullvol",    0, NULL, 0 },
885          { "rodlength",  0, NULL, 0 },
886          { "tet_param",  0, NULL, 'Q' },
887 +        { "tet_param_z",        0, NULL, 0 },
888          { 0,  0, 0, 0 }
889        };
890  
# Line 1057 | Line 1072 | cmdline_parser_internal (
1072              goto failure;
1073          
1074            break;
1075 <        case 'Q':       /* tetrahedrality order parameter.  */
1075 >        case 'Q':       /* tetrahedrality order parameter (Qk).  */
1076          
1077            if (args_info->staticProps_group_counter && override)
1078              reset_group_staticProps (args_info);
# Line 1200 | Line 1215 | cmdline_parser_internal (
1215                goto failure;
1216            
1217            }
1218 +          /* global index offset for a second object (used to define a vector between sites in molecule).  */
1219 +          else if (strcmp (long_options[option_index].name, "seleoffset") == 0)
1220 +          {
1221 +          
1222 +          
1223 +            if (update_arg( (void *)&(args_info->seleoffset_arg),
1224 +                 &(args_info->seleoffset_orig), &(args_info->seleoffset_given),
1225 +                &(local_args_info.seleoffset_given), optarg, 0, 0, ARG_INT,
1226 +                check_ambiguity, override, 0, 0,
1227 +                "seleoffset", '-',
1228 +                additional_error))
1229 +              goto failure;
1230 +          
1231 +          }
1232            /* molecule name.  */
1233            else if (strcmp (long_options[option_index].name, "molname") == 0)
1234            {
# Line 1575 | Line 1604 | cmdline_parser_internal (
1604                  &(local_args_info.rodlength_given), optarg, 0, 0, ARG_NO,
1605                  check_ambiguity, override, 0, 0,
1606                  "rodlength", '-',
1607 +                additional_error))
1608 +              goto failure;
1609 +          
1610 +          }
1611 +          /* spatially-resolved tetrahedrality order parameter Qk(z).  */
1612 +          else if (strcmp (long_options[option_index].name, "tet_param_z") == 0)
1613 +          {
1614 +          
1615 +            if (args_info->staticProps_group_counter && override)
1616 +              reset_group_staticProps (args_info);
1617 +            args_info->staticProps_group_counter += 1;
1618 +          
1619 +            if (update_arg( 0 ,
1620 +                 0 , &(args_info->tet_param_z_given),
1621 +                &(local_args_info.tet_param_z_given), optarg, 0, 0, ARG_NO,
1622 +                check_ambiguity, override, 0, 0,
1623 +                "tet_param_z", '-',
1624                  additional_error))
1625                goto failure;
1626            

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