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root/group/trunk/OOPSE/libBASS/Globals.cpp
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Comparing trunk/OOPSE/libBASS/Globals.cpp (file contents):
Revision 828 by gezelter, Tue Oct 28 16:03:06 2003 UTC vs.
Revision 855 by mmeineke, Thu Nov 6 22:01:37 2003 UTC

# Line 53 | Line 53
53   #define G_SEED           32
54   #define G_RESETTIME      33
55   #define G_USEINITTIME    34
56 + #define G_USEINIT_XS_STATE 35
57 + #define G_ORTHOBOXTOLERANCE 36
58  
59 +
60   Globals::Globals(){
61    
62    int i;
# Line 101 | Line 104 | Globals::Globals(){
104    addHash( "zconsTol",                             G_ZCONSTOL);
105    addHash( "zconsForcePolicy",                     G_ZCONSFORCEPOLICY);
106    addHash( "seed",                                 G_SEED);
107 <  addHash( "useInitTime",                          G_USEINITTIME),
107 >  addHash( "useInitialTime",                       G_USEINITTIME);
108 >  addHash( "useInitialExtendedSystemState",        G_USEINIT_XS_STATE);
109 >  addHash( "orthoBoxTolerance",                    G_ORTHOBOXTOLERANCE);
110          
111          
112    // define some default values
# Line 110 | Line 115 | Globals::Globals(){
115    usePBC = 1; //default  periodic boundry conditions to on
116    useRF  = 0;
117    useInitTime = 1; // default to pull init time from the init file
118 <  
118 >  useInitXSstate = 1; // default to pull the extended state from the init file
119 >  orthoBoxTolerance = 1E-6;
120 >
121    have_force_field =  0;
122    have_n_components = 0;
123    have_target_temp =  0;
# Line 393 | Line 400 | int Globals::globalAssign( event* the_event ){
400        default:
401          the_event->err_msg =
402            strdup( "Global error. targetTemp unrecognized.\n" );
403 +        return 0;
404 +        break;
405 +      }
406 +      break;
407 +
408 +    case G_ORTHOBOXTOLERANCE:
409 +      switch( the_type ){
410 +        
411 +      case STRING:
412 +        the_event->err_msg =
413 +          strdup( "Global error. orthoBoxTolerance is not a double or int.\n" );
414 +        return 0;
415 +        break;
416 +        
417 +      case DOUBLE:
418 +        orthoBoxTolerance = the_event->evt.asmt.rhs.dval;
419 +        have_target_temp = 1;
420 +        return 1;
421 +        break;
422 +        
423 +      case INT:
424 +        orthoBoxTolerance = (double)the_event->evt.asmt.rhs.ival;
425 +        have_target_temp = 1;
426 +        return 1;
427 +        break;
428 +        
429 +      default:
430 +        the_event->err_msg =
431 +          strdup( "Global error.orthoBoxTolerance unrecognized.\n" );
432          return 0;
433          break;
434        }
# Line 916 | Line 952 | int Globals::globalAssign( event* the_event ){
952          strdup( "Global error. useInitTime was not \"true\" or \"false\".\n" );
953        return 0;
954        break;
955 +
956 +    case G_USEINIT_XS_STATE:
957 +      if( the_type == STRING ){
958 +        
959 +        if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval ))
960 +          useInitXSstate = 1;
961 +        else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval ))
962 +          useInitXSstate = 0;
963 +        else{
964 +          the_event->err_msg =
965 +            strdup( "Global error. useInitExtendedSystemState was not \"true\" or \"false\".\n" );
966 +          return 0;
967 +        }
968 +        return 1;
969 +      }
970 +      
971 +      the_event->err_msg =
972 +        strdup( "Global error. useInitExtendedSystemState was not \"true\" or \"false\".\n" );
973 +      return 0;
974 +      break;
975        
976      case G_USEPBC:
977        if( the_type == STRING ){

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