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root/OpenMD/trunk/src/applications/staticProps/StaticPropsCmd.cpp
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Comparing trunk/src/applications/staticProps/StaticPropsCmd.cpp (file contents):
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC vs.
Revision 1979 by gezelter, Sat Apr 5 20:56:01 2014 UTC

# Line 79 | 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",
# Line 89 | Line 89 | const char *gengetopt_args_info_help[] = {
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 168 | Line 169 | void clear_given (struct gengetopt_args_info *args_inf
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 273 | Line 275 | void init_args_info(struct gengetopt_args_info *args_i
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 526 | Line 529 | cmdline_parser_dump(FILE *outfile, struct gengetopt_ar
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 606 | Line 611 | reset_group_staticProps(struct gengetopt_args_info *ar
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 903 | Line 909 | cmdline_parser_internal (
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 1524 | 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 1673 | Line 1680 | cmdline_parser_internal (
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            

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