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root/group/trunk/OOPSE/libBASS/Globals.cpp
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Comparing trunk/OOPSE/libBASS/Globals.cpp (file contents):
Revision 693 by tim, Wed Aug 13 19:21:53 2003 UTC vs.
Revision 811 by mmeineke, Tue Oct 21 19:33:19 2003 UTC

# Line 48 | Line 48
48   #define G_TAUBAROSTAT    27
49   #define G_ZCONSTIME      28
50   #define G_NZCONSTRAINTS  29
51 < #define G_ZCONSTOL 30
51 > #define G_ZCONSTOL       30
52 > #define G_ZCONSFORCEPOLICY 31
53 > #define G_SEED           32
54 > #define G_RESETTIME      33
55 > #define G_USEINITTIME    34
56  
57   Globals::Globals(){
58    
59    int i;
60 +
61 +  hash_size = 23;
62 +  hash_shift = 4;
63    
64    components = NULL;
65    
# Line 76 | Line 83 | Globals::Globals(){
83    addHash( "boxY",          G_BOXY );
84    addHash( "boxZ",          G_BOXZ );
85    addHash( "sampleTime",    G_SAMPLETIME );
86 +  addHash( "resetTime",     G_RESETTIME );
87    addHash( "statusTime",    G_STATUSTIME );
88    addHash( "electrostaticCutoffRadius",            G_ECR );
89    addHash( "dielectric",    G_DIELECTRIC );
# Line 90 | Line 98 | Globals::Globals(){
98    addHash( "tauBarostat",                          G_TAUBAROSTAT);
99    addHash( "zconsTime",                            G_ZCONSTIME);
100    addHash( "nZconstraints",                        G_NZCONSTRAINTS);
101 <  addHash( "zconsTol",                               G_ZCONSTOL);
101 >  addHash( "zconsTol",                             G_ZCONSTOL);
102 >  addHash( "zconsForcePolicy",                     G_ZCONSFORCEPOLICY);
103 >  addHash( "seed",                                 G_SEED);
104 >  addHash( "useInitTime",                          G_USEINITTIME),
105 >        
106          
107    // define some default values
108  
109    strcpy( mixingRule,"standard");  //default mixing rules to standard.
110    usePBC = 1; //default  periodic boundry conditions to on
111    useRF  = 0;
112 +  useInitTime = 1; // default to pull init time from the init file
113    
114    have_force_field =  0;
115    have_n_components = 0;
# Line 116 | Line 129 | Globals::Globals(){
129    have_box_z =          0;
130    have_sample_time =    0;
131    have_status_time =    0;
132 +  have_reset_time =     0;
133    have_thermal_time =   0;
134    have_ecr =            0;
135    have_dielectric =     0;
# Line 129 | Line 143 | Globals::Globals(){
143    have_n_zConstraints = 0;
144    have_zConstraints   = 0;
145    have_zcons_tol = 0;
146 +  have_seed = 0;
147  
148   }
149  
# Line 715 | Line 730 | int Globals::globalAssign( event* the_event ){
730        default:
731          the_event->err_msg =
732            strdup( "Global error. statusTime unrecognized.\n" );
733 +        return 0;
734 +        break;
735 +      }
736 +      break;
737 +
738 +    case G_RESETTIME:
739 +      switch( the_type ){
740 +        
741 +      case STRING:
742 +        the_event->err_msg =
743 +          strdup( "Global error. resetTime is not a double or int.\n" );
744 +        return 0;
745 +        break;
746 +        
747 +      case DOUBLE:
748 +        resetTime = the_event->evt.asmt.rhs.dval;
749 +        have_reset_time = 1;
750 +        return 1;
751 +        break;
752 +        
753 +      case INT:
754 +        resetTime = (double)the_event->evt.asmt.rhs.ival;
755 +        have_reset_time = 1;
756 +        return 1;
757 +        break;
758 +        
759 +      default:
760 +        the_event->err_msg =
761 +          strdup( "Global error. resetTime unrecognized.\n" );
762          return 0;
763          break;
764        }
# Line 852 | Line 896 | int Globals::globalAssign( event* the_event ){
896        
897        the_event->err_msg =
898          strdup( "Global error. tempSet was not \"true\" or \"false\".\n" );
899 +      return 0;
900 +      break;
901 +
902 +    case G_USEINITTIME:
903 +      if( the_type == STRING ){
904 +        
905 +        if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) useInitTime = 1;
906 +        else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useInitTime = 0;
907 +        else{
908 +          the_event->err_msg =
909 +            strdup( "Global error. useInitTime was not \"true\" or \"false\".\n" );
910 +          return 0;
911 +        }
912 +        return 1;
913 +      }
914 +      
915 +      the_event->err_msg =
916 +        strdup( "Global error. useInitTime was not \"true\" or \"false\".\n" );
917        return 0;
918        break;
919        
# Line 1036 | Line 1098 | int Globals::globalAssign( event* the_event ){
1098        }
1099        break;
1100    
1101 +    case G_ZCONSFORCEPOLICY:
1102 +      switch( the_type ){
1103 +        
1104 +      case STRING:
1105 +   strcpy(zconsForcePolicy, the_event->evt.asmt.rhs.sval);
1106  
1107 +   for(int i = 0; zconsForcePolicy[i] != '\0'; i++)
1108 +        {
1109 +      zconsForcePolicy[i] = toupper(zconsForcePolicy[i]);
1110 +   }
1111 +        have_zcons_force_policy = 1;
1112 +   return 1;
1113 +        break;
1114 +        
1115 +      case DOUBLE:
1116 +        the_event->err_msg =
1117 +          strdup( "Global error. zconsForcePolicy is not a double or int.\n" );
1118 +        return 0;
1119 +        break;
1120 +        
1121 +      case INT:
1122 +        the_event->err_msg =
1123 +          strdup( "Global error. zconsForcePolicy is not a double or int.\n" );
1124 +        return 0;
1125 +        break;
1126 +        
1127 +      default:
1128 +        the_event->err_msg =
1129 +          strdup( "Global error. zconsForcePolicy unrecognized.\n" );
1130 +        return 0;
1131 +        break;
1132 +      }
1133 +      break;
1134        // add more token cases here.
1135 +    case G_SEED:
1136 +      switch( the_type ){
1137 +        
1138 +      case STRING:
1139 +   the_event->err_msg =
1140 +          strdup( "Global error. seed is not a string.\n" );
1141 +        return 0;
1142 +   return 0;
1143 +        break;
1144 +        
1145 +      case DOUBLE:
1146 +   have_seed = 1;
1147 +   seed = (int)the_event->evt.asmt.rhs.dval;
1148 +        return 1;
1149 +        break;
1150 +        
1151 +      case INT:
1152 +   have_seed = 1;
1153 +   seed =  the_event->evt.asmt.rhs.ival ;
1154 +        return 1;
1155 +        break;
1156 +        
1157 +      default:
1158 +        the_event->err_msg =
1159 +          strdup( "Global error. seed unrecognized.\n" );
1160 +        return 0;
1161 +        break;
1162 +      }
1163 +      break;
1164 +      // add more token cases here.
1165  
1166      }
1167    }

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