ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/applications/staticProps/StaticPropsCmd.cpp
(Generate patch)

Comparing trunk/src/applications/staticProps/StaticPropsCmd.cpp (file contents):
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC vs.
Revision 1979 by gezelter, Sat Apr 5 20:56:01 2014 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 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 74 | Line 79 | const char *gengetopt_args_info_help[] = {
79    "  -s, --scd                     scd order parameter (either --sele1, --sele2, \n                                  --sele3 are specified or --molname, --begin, \n                                  --end are specified)",
80    "  -d, --density                 density plot",
81    "      --slab_density            slab density",
82 <  "      --p_angle                 p(cos(theta))",
82 >  "      --p_angle                 p(cos(theta)) (--sele1 must be specified, \n                                  --sele2 is optional)",
83    "      --hxy                     hxy",
84    "      --rho_r                   rho of R",
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 >  "      --rnemdrt                 shell and angle-resolved RNEMD statistics \n                                  (temperature, density, angular velocity)",
93      0
94   };
95  
# Line 129 | Line 137 | void clear_given (struct gengetopt_args_info *args_inf
137    args_info->sele3_given = 0 ;
138    args_info->refsele_given = 0 ;
139    args_info->comsele_given = 0 ;
140 +  args_info->seleoffset_given = 0 ;
141    args_info->molname_given = 0 ;
142    args_info->begin_given = 0 ;
143    args_info->end_given = 0 ;
# Line 158 | Line 167 | void clear_given (struct gengetopt_args_info *args_inf
167    args_info->rodlength_given = 0 ;
168    args_info->tet_param_given = 0 ;
169    args_info->tet_param_z_given = 0 ;
170 +  args_info->rnemdz_given = 0 ;
171 +  args_info->rnemdr_given = 0 ;
172 +  args_info->rnemdrt_given = 0 ;
173    args_info->staticProps_group_counter = 0 ;
174   }
175  
# Line 197 | Line 209 | void clear_args (struct gengetopt_args_info *args_info
209    args_info->refsele_orig = NULL;
210    args_info->comsele_arg = NULL;
211    args_info->comsele_orig = NULL;
212 +  args_info->seleoffset_orig = NULL;
213    args_info->molname_arg = NULL;
214    args_info->molname_orig = NULL;
215    args_info->begin_orig = NULL;
# Line 230 | Line 243 | void init_args_info(struct gengetopt_args_info *args_i
243    args_info->sele3_help = gengetopt_args_info_help[17] ;
244    args_info->refsele_help = gengetopt_args_info_help[18] ;
245    args_info->comsele_help = gengetopt_args_info_help[19] ;
246 <  args_info->molname_help = gengetopt_args_info_help[20] ;
247 <  args_info->begin_help = gengetopt_args_info_help[21] ;
248 <  args_info->end_help = gengetopt_args_info_help[22] ;
249 <  args_info->radius_help = gengetopt_args_info_help[23] ;
250 <  args_info->bo_help = gengetopt_args_info_help[25] ;
251 <  args_info->bor_help = gengetopt_args_info_help[26] ;
252 <  args_info->bad_help = gengetopt_args_info_help[27] ;
253 <  args_info->count_help = gengetopt_args_info_help[28] ;
254 <  args_info->gofr_help = gengetopt_args_info_help[29] ;
255 <  args_info->gofz_help = gengetopt_args_info_help[30] ;
256 <  args_info->r_theta_help = gengetopt_args_info_help[31] ;
257 <  args_info->r_omega_help = gengetopt_args_info_help[32] ;
258 <  args_info->r_z_help = gengetopt_args_info_help[33] ;
259 <  args_info->theta_omega_help = gengetopt_args_info_help[34] ;
260 <  args_info->gxyz_help = gengetopt_args_info_help[35] ;
261 <  args_info->twodgofr_help = gengetopt_args_info_help[36] ;
262 <  args_info->p2_help = gengetopt_args_info_help[37] ;
263 <  args_info->rp2_help = gengetopt_args_info_help[38] ;
264 <  args_info->scd_help = gengetopt_args_info_help[39] ;
265 <  args_info->density_help = gengetopt_args_info_help[40] ;
266 <  args_info->slab_density_help = gengetopt_args_info_help[41] ;
267 <  args_info->p_angle_help = gengetopt_args_info_help[42] ;
268 <  args_info->hxy_help = gengetopt_args_info_help[43] ;
269 <  args_info->rho_r_help = gengetopt_args_info_help[44] ;
270 <  args_info->angle_r_help = gengetopt_args_info_help[45] ;
271 <  args_info->hullvol_help = gengetopt_args_info_help[46] ;
272 <  args_info->rodlength_help = gengetopt_args_info_help[47] ;
273 <  args_info->tet_param_help = gengetopt_args_info_help[48] ;
274 <  args_info->tet_param_z_help = gengetopt_args_info_help[49] ;
246 >  args_info->seleoffset_help = gengetopt_args_info_help[20] ;
247 >  args_info->molname_help = gengetopt_args_info_help[21] ;
248 >  args_info->begin_help = gengetopt_args_info_help[22] ;
249 >  args_info->end_help = gengetopt_args_info_help[23] ;
250 >  args_info->radius_help = gengetopt_args_info_help[24] ;
251 >  args_info->bo_help = gengetopt_args_info_help[26] ;
252 >  args_info->bor_help = gengetopt_args_info_help[27] ;
253 >  args_info->bad_help = gengetopt_args_info_help[28] ;
254 >  args_info->count_help = gengetopt_args_info_help[29] ;
255 >  args_info->gofr_help = gengetopt_args_info_help[30] ;
256 >  args_info->gofz_help = gengetopt_args_info_help[31] ;
257 >  args_info->r_theta_help = gengetopt_args_info_help[32] ;
258 >  args_info->r_omega_help = gengetopt_args_info_help[33] ;
259 >  args_info->r_z_help = gengetopt_args_info_help[34] ;
260 >  args_info->theta_omega_help = gengetopt_args_info_help[35] ;
261 >  args_info->gxyz_help = gengetopt_args_info_help[36] ;
262 >  args_info->twodgofr_help = gengetopt_args_info_help[37] ;
263 >  args_info->p2_help = gengetopt_args_info_help[38] ;
264 >  args_info->rp2_help = gengetopt_args_info_help[39] ;
265 >  args_info->scd_help = gengetopt_args_info_help[40] ;
266 >  args_info->density_help = gengetopt_args_info_help[41] ;
267 >  args_info->slab_density_help = gengetopt_args_info_help[42] ;
268 >  args_info->p_angle_help = gengetopt_args_info_help[43] ;
269 >  args_info->hxy_help = gengetopt_args_info_help[44] ;
270 >  args_info->rho_r_help = gengetopt_args_info_help[45] ;
271 >  args_info->angle_r_help = gengetopt_args_info_help[46] ;
272 >  args_info->hullvol_help = gengetopt_args_info_help[47] ;
273 >  args_info->rodlength_help = gengetopt_args_info_help[48] ;
274 >  args_info->tet_param_help = gengetopt_args_info_help[49] ;
275 >  args_info->tet_param_z_help = gengetopt_args_info_help[50] ;
276 >  args_info->rnemdz_help = gengetopt_args_info_help[51] ;
277 >  args_info->rnemdr_help = gengetopt_args_info_help[52] ;
278 >  args_info->rnemdrt_help = gengetopt_args_info_help[53] ;
279    
280   }
281  
# Line 367 | Line 384 | cmdline_parser_release (struct gengetopt_args_info *ar
384    free_string_field (&(args_info->refsele_orig));
385    free_string_field (&(args_info->comsele_arg));
386    free_string_field (&(args_info->comsele_orig));
387 +  free_string_field (&(args_info->seleoffset_orig));
388    free_string_field (&(args_info->molname_arg));
389    free_string_field (&(args_info->molname_orig));
390    free_string_field (&(args_info->begin_orig));
# Line 447 | Line 465 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
465      write_into_file(outfile, "refsele", args_info->refsele_orig, 0);
466    if (args_info->comsele_given)
467      write_into_file(outfile, "comsele", args_info->comsele_orig, 0);
468 +  if (args_info->seleoffset_given)
469 +    write_into_file(outfile, "seleoffset", args_info->seleoffset_orig, 0);
470    if (args_info->molname_given)
471      write_into_file(outfile, "molname", args_info->molname_orig, 0);
472    if (args_info->begin_given)
# Line 505 | Line 525 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
525      write_into_file(outfile, "tet_param", 0, 0 );
526    if (args_info->tet_param_z_given)
527      write_into_file(outfile, "tet_param_z", 0, 0 );
528 +  if (args_info->rnemdz_given)
529 +    write_into_file(outfile, "rnemdz", 0, 0 );
530 +  if (args_info->rnemdr_given)
531 +    write_into_file(outfile, "rnemdr", 0, 0 );
532 +  if (args_info->rnemdrt_given)
533 +    write_into_file(outfile, "rnemdrt", 0, 0 );
534    
535  
536    i = EXIT_SUCCESS;
# Line 583 | Line 609 | reset_group_staticProps(struct gengetopt_args_info *ar
609    args_info->rodlength_given = 0 ;
610    args_info->tet_param_given = 0 ;
611    args_info->tet_param_z_given = 0 ;
612 +  args_info->rnemdz_given = 0 ;
613 +  args_info->rnemdr_given = 0 ;
614 +  args_info->rnemdrt_given = 0 ;
615  
616    args_info->staticProps_group_counter = 0;
617   }
# Line 848 | Line 877 | cmdline_parser_internal (
877          { "sele3",      1, NULL, 0 },
878          { "refsele",    1, NULL, 0 },
879          { "comsele",    1, NULL, 0 },
880 +        { "seleoffset", 1, NULL, 0 },
881          { "molname",    1, NULL, 0 },
882          { "begin",      1, NULL, 0 },
883          { "end",        1, NULL, 0 },
# Line 877 | Line 907 | cmdline_parser_internal (
907          { "rodlength",  0, NULL, 0 },
908          { "tet_param",  0, NULL, 'Q' },
909          { "tet_param_z",        0, NULL, 0 },
910 +        { "rnemdz",     0, NULL, 0 },
911 +        { "rnemdr",     0, NULL, 0 },
912 +        { "rnemdrt",    0, NULL, 0 },
913          { 0,  0, 0, 0 }
914        };
915  
# Line 1064 | Line 1097 | cmdline_parser_internal (
1097              goto failure;
1098          
1099            break;
1100 <        case 'Q':       /* tetrahedrality order parameter.  */
1100 >        case 'Q':       /* tetrahedrality order parameter (Qk).  */
1101          
1102            if (args_info->staticProps_group_counter && override)
1103              reset_group_staticProps (args_info);
# Line 1203 | Line 1236 | cmdline_parser_internal (
1236                  &(local_args_info.comsele_given), optarg, 0, 0, ARG_STRING,
1237                  check_ambiguity, override, 0, 0,
1238                  "comsele", '-',
1239 +                additional_error))
1240 +              goto failure;
1241 +          
1242 +          }
1243 +          /* global index offset for a second object (used to define a vector between sites in molecule).  */
1244 +          else if (strcmp (long_options[option_index].name, "seleoffset") == 0)
1245 +          {
1246 +          
1247 +          
1248 +            if (update_arg( (void *)&(args_info->seleoffset_arg),
1249 +                 &(args_info->seleoffset_orig), &(args_info->seleoffset_given),
1250 +                &(local_args_info.seleoffset_given), optarg, 0, 0, ARG_INT,
1251 +                check_ambiguity, override, 0, 0,
1252 +                "seleoffset", '-',
1253                  additional_error))
1254                goto failure;
1255            
# Line 1484 | Line 1531 | cmdline_parser_internal (
1531                goto failure;
1532            
1533            }
1534 <          /* p(cos(theta)).  */
1534 >          /* p(cos(theta)) (--sele1 must be specified, --sele2 is optional).  */
1535            else if (strcmp (long_options[option_index].name, "p_angle") == 0)
1536            {
1537            
# Line 1586 | Line 1633 | cmdline_parser_internal (
1633                goto failure;
1634            
1635            }
1636 <          /* tetrahedrality order parameter by zbin(--sele1 must be specified).  */
1636 >          /* spatially-resolved tetrahedrality order parameter Qk(z).  */
1637            else if (strcmp (long_options[option_index].name, "tet_param_z") == 0)
1638            {
1639            
# Line 1599 | Line 1646 | cmdline_parser_internal (
1646                  &(local_args_info.tet_param_z_given), optarg, 0, 0, ARG_NO,
1647                  check_ambiguity, override, 0, 0,
1648                  "tet_param_z", '-',
1649 +                additional_error))
1650 +              goto failure;
1651 +          
1652 +          }
1653 +          /* slab-resolved RNEMD statistics (temperature, density, velocity).  */
1654 +          else if (strcmp (long_options[option_index].name, "rnemdz") == 0)
1655 +          {
1656 +          
1657 +            if (args_info->staticProps_group_counter && override)
1658 +              reset_group_staticProps (args_info);
1659 +            args_info->staticProps_group_counter += 1;
1660 +          
1661 +            if (update_arg( 0 ,
1662 +                 0 , &(args_info->rnemdz_given),
1663 +                &(local_args_info.rnemdz_given), optarg, 0, 0, ARG_NO,
1664 +                check_ambiguity, override, 0, 0,
1665 +                "rnemdz", '-',
1666                  additional_error))
1667                goto failure;
1668            
1669            }
1670 +          /* shell-resolved RNEMD statistics (temperature, density, angular velocity).  */
1671 +          else if (strcmp (long_options[option_index].name, "rnemdr") == 0)
1672 +          {
1673            
1674 +            if (args_info->staticProps_group_counter && override)
1675 +              reset_group_staticProps (args_info);
1676 +            args_info->staticProps_group_counter += 1;
1677 +          
1678 +            if (update_arg( 0 ,
1679 +                 0 , &(args_info->rnemdr_given),
1680 +                &(local_args_info.rnemdr_given), optarg, 0, 0, ARG_NO,
1681 +                check_ambiguity, override, 0, 0,
1682 +                "rnemdr", '-',
1683 +                additional_error))
1684 +              goto failure;
1685 +          
1686 +          }
1687 +          /* shell and angle-resolved RNEMD statistics (temperature, density, angular velocity).  */
1688 +          else if (strcmp (long_options[option_index].name, "rnemdrt") == 0)
1689 +          {
1690 +          
1691 +            if (args_info->staticProps_group_counter && override)
1692 +              reset_group_staticProps (args_info);
1693 +            args_info->staticProps_group_counter += 1;
1694 +          
1695 +            if (update_arg( 0 ,
1696 +                 0 , &(args_info->rnemdrt_given),
1697 +                &(local_args_info.rnemdrt_given), optarg, 0, 0, ARG_NO,
1698 +                check_ambiguity, override, 0, 0,
1699 +                "rnemdrt", '-',
1700 +                additional_error))
1701 +              goto failure;
1702 +          
1703 +          }
1704 +          
1705            break;
1706          case '?':       /* Invalid option.  */
1707            /* `getopt_long' already printed an error message.  */

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines