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/* |
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File autogenerated by gengetopt version 2.22.4 |
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generated with the following command: |
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< |
gengetopt -i StaticProps.ggo -c cpp -F StaticPropsCmd -u |
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> |
gengetopt --file-name=StaticPropsCmd --unamed-opts |
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The developers of gengetopt consider the fixed text that goes in all |
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gengetopt output files to be in the public domain: |
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" --sele3=selection script select the third stuntdouble set", |
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" --refsele=selection script\n select reference (use and only use with --gxyz)", |
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" --comsele=selection script\n select stunt doubles for center-of-mass \n reference point", |
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+ |
" --seleoffset=INT global index offset for a second object (used \n to define a vector between sites in molecule)", |
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" --molname=STRING molecule name", |
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" --begin=INT begin internal index", |
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" --end=INT end internal index", |
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args_info->sele3_given = 0 ; |
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args_info->refsele_given = 0 ; |
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args_info->comsele_given = 0 ; |
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+ |
args_info->seleoffset_given = 0 ; |
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args_info->molname_given = 0 ; |
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args_info->begin_given = 0 ; |
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args_info->end_given = 0 ; |
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args_info->refsele_orig = NULL; |
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args_info->comsele_arg = NULL; |
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args_info->comsele_orig = NULL; |
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+ |
args_info->seleoffset_orig = NULL; |
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args_info->molname_arg = NULL; |
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args_info->molname_orig = NULL; |
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args_info->begin_orig = NULL; |
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args_info->sele3_help = gengetopt_args_info_help[17] ; |
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args_info->refsele_help = gengetopt_args_info_help[18] ; |
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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] ; |
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< |
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] ; |
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< |
args_info->gxyz_help = gengetopt_args_info_help[35] ; |
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< |
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] ; |
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< |
args_info->density_help = gengetopt_args_info_help[40] ; |
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< |
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] ; |
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< |
args_info->tet_param_help = gengetopt_args_info_help[48] ; |
| 264 |
< |
args_info->tet_param_z_help = gengetopt_args_info_help[49] ; |
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> |
args_info->seleoffset_help = gengetopt_args_info_help[20] ; |
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> |
args_info->molname_help = gengetopt_args_info_help[21] ; |
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> |
args_info->begin_help = gengetopt_args_info_help[22] ; |
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> |
args_info->end_help = gengetopt_args_info_help[23] ; |
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> |
args_info->radius_help = gengetopt_args_info_help[24] ; |
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> |
args_info->bo_help = gengetopt_args_info_help[26] ; |
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> |
args_info->bor_help = gengetopt_args_info_help[27] ; |
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> |
args_info->bad_help = gengetopt_args_info_help[28] ; |
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> |
args_info->count_help = gengetopt_args_info_help[29] ; |
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> |
args_info->gofr_help = gengetopt_args_info_help[30] ; |
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> |
args_info->gofz_help = gengetopt_args_info_help[31] ; |
| 247 |
> |
args_info->r_theta_help = gengetopt_args_info_help[32] ; |
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> |
args_info->r_omega_help = gengetopt_args_info_help[33] ; |
| 249 |
> |
args_info->r_z_help = gengetopt_args_info_help[34] ; |
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> |
args_info->theta_omega_help = gengetopt_args_info_help[35] ; |
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> |
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] ; |
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> |
args_info->scd_help = gengetopt_args_info_help[40] ; |
| 256 |
> |
args_info->density_help = gengetopt_args_info_help[41] ; |
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> |
args_info->slab_density_help = gengetopt_args_info_help[42] ; |
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> |
args_info->p_angle_help = gengetopt_args_info_help[43] ; |
| 259 |
> |
args_info->hxy_help = gengetopt_args_info_help[44] ; |
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> |
args_info->rho_r_help = gengetopt_args_info_help[45] ; |
| 261 |
> |
args_info->angle_r_help = gengetopt_args_info_help[46] ; |
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> |
args_info->hullvol_help = gengetopt_args_info_help[47] ; |
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> |
args_info->rodlength_help = gengetopt_args_info_help[48] ; |
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> |
args_info->tet_param_help = gengetopt_args_info_help[49] ; |
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> |
args_info->tet_param_z_help = gengetopt_args_info_help[50] ; |
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} |
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free_string_field (&(args_info->refsele_orig)); |
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free_string_field (&(args_info->comsele_arg)); |
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free_string_field (&(args_info->comsele_orig)); |
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+ |
free_string_field (&(args_info->seleoffset_orig)); |
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free_string_field (&(args_info->molname_arg)); |
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free_string_field (&(args_info->molname_orig)); |
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free_string_field (&(args_info->begin_orig)); |
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write_into_file(outfile, "refsele", args_info->refsele_orig, 0); |
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if (args_info->comsele_given) |
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write_into_file(outfile, "comsele", args_info->comsele_orig, 0); |
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+ |
if (args_info->seleoffset_given) |
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+ |
write_into_file(outfile, "seleoffset", args_info->seleoffset_orig, 0); |
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if (args_info->molname_given) |
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write_into_file(outfile, "molname", args_info->molname_orig, 0); |
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if (args_info->begin_given) |
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{ "sele3", 1, NULL, 0 }, |
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{ "refsele", 1, NULL, 0 }, |
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{ "comsele", 1, NULL, 0 }, |
| 858 |
+ |
{ "seleoffset", 1, NULL, 0 }, |
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{ "molname", 1, NULL, 0 }, |
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{ "begin", 1, NULL, 0 }, |
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{ "end", 1, NULL, 0 }, |
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goto failure; |
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|
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} |
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+ |
/* 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) |
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+ |
{ |
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+ |
|
| 1222 |
+ |
|
| 1223 |
+ |
if (update_arg( (void *)&(args_info->seleoffset_arg), |
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+ |
&(args_info->seleoffset_orig), &(args_info->seleoffset_given), |
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&(local_args_info.seleoffset_given), optarg, 0, 0, ARG_INT, |
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check_ambiguity, override, 0, 0, |
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"seleoffset", '-', |
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+ |
additional_error)) |
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+ |
goto failure; |
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+ |
|
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} |
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/* molecule name. */ |
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else if (strcmp (long_options[option_index].name, "molname") == 0) |
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{ |