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root/OpenMD/branches/development/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.
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 2.22.4
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 21 | Line 21
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  
# Line 52 | 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 81 | Line 86 | const char *gengetopt_args_info_help[] = {
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 128 | 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 156 | Line 163 | void clear_given (struct gengetopt_args_info *args_inf
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  
# 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    
271   }
272  
# Line 364 | 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 444 | 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 500 | Line 514 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
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 577 | Line 593 | reset_group_staticProps(struct gengetopt_args_info *ar
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   }
# Line 842 | Line 859 | cmdline_parser_internal (
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 870 | Line 888 | cmdline_parser_internal (
888          { "hullvol",    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  
# Line 1200 | Line 1219 | cmdline_parser_internal (
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 1575 | Line 1608 | cmdline_parser_internal (
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            

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