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root/OpenMD/branches/development/src/applications/staticProps/StaticPropsCmd.cpp
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Comparing branches/development/src/applications/staticProps/StaticPropsCmd.cpp (file contents):
Revision 1831 by gezelter, Thu Jan 10 14:06:34 2013 UTC vs.
Revision 1865 by gezelter, Wed Apr 17 18:24:08 2013 UTC

# Line 81 | 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",
85 <  "      --tet_param_z             tetrahedrality order parameter by zbin(--sele1 \n                                  must be specified)",
84 >  "  -Q, --tet_param               tetrahedrality order parameter (Qk)",
85 >  "      --tet_param_z             spatially-resolved tetrahedrality order \n                                  parameter Qk(z)",
86 >  "      --rnemdz                  slab-resolved RNEMD statistics (temperature, \n                                  density, velocity)",
87 >  "      --rnemdr                  shell-resolved RNEMD statistics (temperature, \n                                  density, angular velocity)",
88      0
89   };
90  
# Line 160 | Line 162 | void clear_given (struct gengetopt_args_info *args_inf
162    args_info->rodlength_given = 0 ;
163    args_info->tet_param_given = 0 ;
164    args_info->tet_param_z_given = 0 ;
165 +  args_info->rnemdz_given = 0 ;
166 +  args_info->rnemdr_given = 0 ;
167    args_info->staticProps_group_counter = 0 ;
168   }
169  
# Line 263 | Line 267 | void init_args_info(struct gengetopt_args_info *args_i
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 +  args_info->rnemdz_help = gengetopt_args_info_help[51] ;
271 +  args_info->rnemdr_help = gengetopt_args_info_help[52] ;
272    
273   }
274  
# Line 512 | Line 518 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
518      write_into_file(outfile, "tet_param", 0, 0 );
519    if (args_info->tet_param_z_given)
520      write_into_file(outfile, "tet_param_z", 0, 0 );
521 +  if (args_info->rnemdz_given)
522 +    write_into_file(outfile, "rnemdz", 0, 0 );
523 +  if (args_info->rnemdr_given)
524 +    write_into_file(outfile, "rnemdr", 0, 0 );
525    
526  
527    i = EXIT_SUCCESS;
# Line 590 | Line 600 | reset_group_staticProps(struct gengetopt_args_info *ar
600    args_info->rodlength_given = 0 ;
601    args_info->tet_param_given = 0 ;
602    args_info->tet_param_z_given = 0 ;
603 +  args_info->rnemdz_given = 0 ;
604 +  args_info->rnemdr_given = 0 ;
605  
606    args_info->staticProps_group_counter = 0;
607   }
# Line 885 | Line 897 | cmdline_parser_internal (
897          { "rodlength",  0, NULL, 0 },
898          { "tet_param",  0, NULL, 'Q' },
899          { "tet_param_z",        0, NULL, 0 },
900 +        { "rnemdz",     0, NULL, 0 },
901 +        { "rnemdr",     0, NULL, 0 },
902          { 0,  0, 0, 0 }
903        };
904  
# Line 1072 | Line 1086 | cmdline_parser_internal (
1086              goto failure;
1087          
1088            break;
1089 <        case 'Q':       /* tetrahedrality order parameter.  */
1089 >        case 'Q':       /* tetrahedrality order parameter (Qk).  */
1090          
1091            if (args_info->staticProps_group_counter && override)
1092              reset_group_staticProps (args_info);
# Line 1608 | Line 1622 | cmdline_parser_internal (
1622                goto failure;
1623            
1624            }
1625 <          /* tetrahedrality order parameter by zbin(--sele1 must be specified).  */
1625 >          /* spatially-resolved tetrahedrality order parameter Qk(z).  */
1626            else if (strcmp (long_options[option_index].name, "tet_param_z") == 0)
1627            {
1628            
# Line 1621 | Line 1635 | cmdline_parser_internal (
1635                  &(local_args_info.tet_param_z_given), optarg, 0, 0, ARG_NO,
1636                  check_ambiguity, override, 0, 0,
1637                  "tet_param_z", '-',
1638 +                additional_error))
1639 +              goto failure;
1640 +          
1641 +          }
1642 +          /* slab-resolved RNEMD statistics (temperature, density, velocity).  */
1643 +          else if (strcmp (long_options[option_index].name, "rnemdz") == 0)
1644 +          {
1645 +          
1646 +            if (args_info->staticProps_group_counter && override)
1647 +              reset_group_staticProps (args_info);
1648 +            args_info->staticProps_group_counter += 1;
1649 +          
1650 +            if (update_arg( 0 ,
1651 +                 0 , &(args_info->rnemdz_given),
1652 +                &(local_args_info.rnemdz_given), optarg, 0, 0, ARG_NO,
1653 +                check_ambiguity, override, 0, 0,
1654 +                "rnemdz", '-',
1655                  additional_error))
1656                goto failure;
1657            
1658            }
1659 +          /* shell-resolved RNEMD statistics (temperature, density, angular velocity).  */
1660 +          else if (strcmp (long_options[option_index].name, "rnemdr") == 0)
1661 +          {
1662            
1663 +            if (args_info->staticProps_group_counter && override)
1664 +              reset_group_staticProps (args_info);
1665 +            args_info->staticProps_group_counter += 1;
1666 +          
1667 +            if (update_arg( 0 ,
1668 +                 0 , &(args_info->rnemdr_given),
1669 +                &(local_args_info.rnemdr_given), optarg, 0, 0, ARG_NO,
1670 +                check_ambiguity, override, 0, 0,
1671 +                "rnemdr", '-',
1672 +                additional_error))
1673 +              goto failure;
1674 +          
1675 +          }
1676 +          
1677            break;
1678          case '?':       /* Invalid option.  */
1679            /* `getopt_long' already printed an error message.  */

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