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root/group/trunk/OOPSE/libBASS/Globals.cpp
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Comparing trunk/OOPSE/libBASS/Globals.cpp (file contents):
Revision 394 by gezelter, Mon Mar 24 21:55:34 2003 UTC vs.
Revision 474 by gezelter, Mon Apr 7 21:42:19 2003 UTC

# Line 43 | Line 43
43   #define G_MIXINGRULE    22
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 80 | Line 83 | Globals::Globals(){
83    addHash( "usePeriodicBoundaryConditions",        G_USEPBC);
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 110 | Line 116 | Globals::Globals(){
116    have_dielectric =     0;
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 734 | Line 743 | int Globals::globalAssign( event* the_event ){
743      case G_TEMPSET:
744        if( the_type == STRING ){
745          
746 <        if( !strcmp( "true", the_event->evt.asmt.rhs.sval )) tempSet = 1;
747 <        else if( !strcmp( "false", the_event->evt.asmt.rhs.sval )) tempSet = 0;
746 >        if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) tempSet = 1;
747 >        else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) tempSet = 0;
748          else{
749            the_event->err_msg =
750              strdup( "Global error. tempSet was not \"true\" or \"false\".\n" );
# Line 753 | Line 762 | int Globals::globalAssign( event* the_event ){
762      case G_USEPBC:
763        if( the_type == STRING ){
764          
765 <        if( !strcmp( "true", the_event->evt.asmt.rhs.sval )) usePBC = 1;
766 <        else if( !strcmp( "false", the_event->evt.asmt.rhs.sval )) usePBC = 0;
765 >        if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) usePBC = 1;
766 >        else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) usePBC = 0;
767          else{
768            the_event->err_msg =
769              strdup( "Global error. usePeriodicBoundaryConditions was not \"true\" or \"false\".\n" );
# Line 771 | Line 780 | int Globals::globalAssign( event* the_event ){
780      case G_USERF:
781        if( the_type == STRING ){
782          
783 <        if( !strcmp( "true", the_event->evt.asmt.rhs.sval )) useRF = 1;
784 <        else if( !strcmp( "false", the_event->evt.asmt.rhs.sval )) useRF = 0;
783 >        if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) useRF = 1;
784 >        else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useRF = 0;
785          else{
786            the_event->err_msg =
787              strdup( "Global error. useReactionField was not \"true\" or \"false\".\n" );
# Line 786 | Line 795 | int Globals::globalAssign( event* the_event ){
795        return 0;
796        break;
797  
798 +    case G_TARGETPRESSURE:
799 +      switch( the_type ){
800 +        
801 +      case STRING:
802 +        the_event->err_msg =
803 +          strdup( "Global error. targetPressure is not a double or int.\n" );
804 +        return 0;
805 +        break;
806 +        
807 +      case DOUBLE:
808 +        target_pressure = the_event->evt.asmt.rhs.dval;
809 +        have_target_pressure = 1;
810 +        return 1;
811 +        break;
812 +        
813 +      case INT:
814 +        target_pressure = (double)the_event->evt.asmt.rhs.ival;
815 +        have_target_pressure = 1;
816 +        return 1;
817 +        break;
818 +        
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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