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root/group/trunk/OOPSE/libBASS/Globals.cpp
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Comparing trunk/OOPSE/libBASS/Globals.cpp (file contents):
Revision 465 by gezelter, Mon Apr 7 14:30:12 2003 UTC vs.
Revision 474 by gezelter, Mon Apr 7 21:42:19 2003 UTC

# Line 44 | Line 44
44   #define G_EST           23
45   #define G_USERF         24
46   #define G_TARGETPRESSURE 25
47 + #define G_QMASS         26
48 + #define G_TAURELAX      27
49  
50  
51   Globals::Globals(){
# Line 82 | Line 84 | Globals::Globals(){
84    addHash( "electrostaticSkinThickness",           G_EST );
85    addHash( "useReactionField",                     G_USERF );
86    addHash( "targetPressure",                       G_TARGETPRESSURE);
87 +  addHash( "qMass",                                G_QMASS);
88 +  addHash( "tauRelax",                             G_TAURELAX);
89    
90    // define some default values
91  
# Line 113 | Line 117 | Globals::Globals(){
117    have_tempSet =        0;
118    have_est =            0;
119    have_target_pressure =0;
120 +  have_q_mass =         0;
121 +  have_tau_relax =      0;
122   }
123  
124   Globals::~Globals(){
# Line 813 | Line 819 | int Globals::globalAssign( event* the_event ){
819        default:
820          the_event->err_msg =
821            strdup( "Global error. targetPressure unrecognized.\n" );
822 +        return 0;
823 +        break;
824 +      }
825 +      break;
826 +
827 +    case G_QMASS:
828 +      switch( the_type ){
829 +        
830 +      case STRING:
831 +        the_event->err_msg =
832 +          strdup( "Global error. qMass is not a double or int.\n" );
833 +        return 0;
834 +        break;
835 +        
836 +      case DOUBLE:
837 +        q_mass = the_event->evt.asmt.rhs.dval;
838 +        have_q_mass = 1;
839 +        return 1;
840 +        break;
841 +        
842 +      case INT:
843 +        q_mass = (double)the_event->evt.asmt.rhs.ival;
844 +        have_q_mass = 1;
845 +        return 1;
846 +        break;
847 +        
848 +      default:
849 +        the_event->err_msg =
850 +          strdup( "Global error. qMass unrecognized.\n" );
851          return 0;
852          break;
853        }
854        break;
855  
856 +    case G_TAURELAX:
857 +      switch( the_type ){
858 +        
859 +      case STRING:
860 +        the_event->err_msg =
861 +          strdup( "Global error. tauRelax is not a double or int.\n" );
862 +        return 0;
863 +        break;
864 +        
865 +      case DOUBLE:
866 +        tau_relax = the_event->evt.asmt.rhs.dval;
867 +        have_tau_relax = 1;
868 +        return 1;
869 +        break;
870 +        
871 +      case INT:
872 +        tau_relax = (double)the_event->evt.asmt.rhs.ival;
873 +        have_tau_relax = 1;
874 +        return 1;
875 +        break;
876 +        
877 +      default:
878 +        the_event->err_msg =
879 +          strdup( "Global error. tauRelax unrecognized.\n" );
880 +        return 0;
881 +        break;
882 +      }
883 +      break;
884 +
885      }
886    }
887    

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