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root/OpenMD/trunk/src/applications/staticProps/StaticPropsCmd.c
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Comparing trunk/src/applications/staticProps/StaticPropsCmd.c (file contents):
Revision 1531 by kstocke1, Wed Dec 29 16:48:19 2010 UTC vs.
Revision 1585 by gezelter, Sun Jun 19 17:51:15 2011 UTC

# Line 69 | Line 69 | const char *gengetopt_args_info_help[] = {
69    "      --theta_omega             g(cos(theta), cos(omega))",
70    "      --gxyz                    g(x, y, z)",
71    "      --twodgofr                2D g(r) (Slab width --dz must be specified)",
72 <  "  -p, --p2                      p2 order parameter (--sele1 and --sele2 must be \n                                  specified)",
72 >  "  -p, --p2                      p2 order parameter (--sele1 must be specified, \n                                  --sele2 is optional)",
73    "      --rp2                     rp2 order parameter (--sele1 and --sele2 must \n                                  be specified)",
74    "  -s, --scd                     scd order parameter (either --sele1, --sele2, \n                                  --sele3 are specified or --molname, --begin, \n                                  --end are specified)",
75    "  -d, --density                 density plot",
# Line 79 | Line 79 | const char *gengetopt_args_info_help[] = {
79    "      --rho_r                   rho of R",
80    "      --angle_r                 angle of R",
81    "      --hullvol                 hull volume of nanoparticle",
82 +  "      --rodlength               length of nanorod",
83    "  -Q, --tet_param               tetrahedrality order parameter",
84      0
85   };
# Line 153 | Line 154 | void clear_given (struct gengetopt_args_info *args_inf
154    args_info->rho_r_given = 0 ;
155    args_info->angle_r_given = 0 ;
156    args_info->hullvol_given = 0 ;
157 +  args_info->rodlength_given = 0 ;
158    args_info->tet_param_given = 0 ;
159    args_info->staticProps_group_counter = 0 ;
160   }
# Line 252 | Line 254 | void init_args_info(struct gengetopt_args_info *args_i
254    args_info->rho_r_help = gengetopt_args_info_help[44] ;
255    args_info->angle_r_help = gengetopt_args_info_help[45] ;
256    args_info->hullvol_help = gengetopt_args_info_help[46] ;
257 <  args_info->tet_param_help = gengetopt_args_info_help[47] ;
257 >  args_info->rodlength_help = gengetopt_args_info_help[47] ;
258 >  args_info->tet_param_help = gengetopt_args_info_help[48] ;
259    
260   }
261  
# Line 493 | Line 496 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
496      write_into_file(outfile, "angle_r", 0, 0 );
497    if (args_info->hullvol_given)
498      write_into_file(outfile, "hullvol", 0, 0 );
499 +  if (args_info->rodlength_given)
500 +    write_into_file(outfile, "rodlength", 0, 0 );
501    if (args_info->tet_param_given)
502      write_into_file(outfile, "tet_param", 0, 0 );
503    
# Line 570 | Line 575 | reset_group_staticProps(struct gengetopt_args_info *ar
575    args_info->rho_r_given = 0 ;
576    args_info->angle_r_given = 0 ;
577    args_info->hullvol_given = 0 ;
578 +  args_info->rodlength_given = 0 ;
579    args_info->tet_param_given = 0 ;
580  
581    args_info->staticProps_group_counter = 0;
# Line 862 | Line 868 | cmdline_parser_internal (
868          { "rho_r",      0, NULL, 0 },
869          { "angle_r",    0, NULL, 0 },
870          { "hullvol",    0, NULL, 0 },
871 +        { "rodlength",  0, NULL, 0 },
872          { "tet_param",  0, NULL, 'Q' },
873          { 0,  0, 0, 0 }
874        };
# Line 1005 | Line 1012 | cmdline_parser_internal (
1012              goto failure;
1013          
1014            break;
1015 <        case 'p':       /* p2 order parameter (--sele1 and --sele2 must be specified).  */
1015 >        case 'p':       /* p2 order parameter (--sele1 must be specified, --sele2 is optional).  */
1016          
1017            if (args_info->staticProps_group_counter && override)
1018              reset_group_staticProps (args_info);
# Line 1551 | Line 1558 | cmdline_parser_internal (
1558                  &(local_args_info.hullvol_given), optarg, 0, 0, ARG_NO,
1559                  check_ambiguity, override, 0, 0,
1560                  "hullvol", '-',
1561 +                additional_error))
1562 +              goto failure;
1563 +          
1564 +          }
1565 +          /* length of nanorod.  */
1566 +          else if (strcmp (long_options[option_index].name, "rodlength") == 0)
1567 +          {
1568 +          
1569 +            if (args_info->staticProps_group_counter && override)
1570 +              reset_group_staticProps (args_info);
1571 +            args_info->staticProps_group_counter += 1;
1572 +          
1573 +            if (update_arg( 0 ,
1574 +                 0 , &(args_info->rodlength_given),
1575 +                &(local_args_info.rodlength_given), optarg, 0, 0, ARG_NO,
1576 +                check_ambiguity, override, 0, 0,
1577 +                "rodlength", '-',
1578                  additional_error))
1579                goto failure;
1580            

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