--- branches/mmeineke/mdtools/interface_implementation/Globals.cpp	2002/07/09 18:40:59	10
+++ trunk/mdtools/interface_implementation/Globals.cpp	2003/02/24 21:26:54	282
@@ -3,6 +3,10 @@
 #include <cstring>
 
 #include "Globals.hpp"
+#include "simError.h"
+#ifdef IS_MPI
+#include "mpiBASS.h"
+#endif // is_mpi
 
 /*
  * The following section lists all of the defined tokens for the
@@ -35,6 +39,8 @@
 #define G_DIELECTRIC    18
 #define G_TEMPSET       19
 #define G_THERMALTIME   20
+#define G_USEPBC 21
+#define G_MIXINGRULE 22
 
 
 Globals::Globals(){
@@ -50,6 +56,7 @@ Globals::Globals(){
   addHash( "nComponents",   G_NCOMPONENTS );
   addHash( "targetTemp",    G_TARGETTEMP );
   addHash( "ensemble",      G_ENSEMBLE );
+
   addHash( "dt",            G_DT );
   addHash( "runTime",       G_RUNTIME );
 
@@ -67,6 +74,11 @@ Globals::Globals(){
   addHash( "dielectric",    G_DIELECTRIC );
   addHash( "tempSet",       G_TEMPSET );
   addHash( "thermalTime",   G_THERMALTIME );
+  addHash("mixingRule", G_MIXINGRULE);
+  mixingRule = "standard"; //default mixing rules to standard.
+  addHash("periodicBoundryConditions", G_USEPBC);
+  usePBC = 1; //default  periodic boundry conditions to on
+  
 
   have_force_field =  0;
   have_n_components = 0;
@@ -90,7 +102,7 @@ Globals::Globals(){
   have_rrf =            0;
   have_dielectric =     0;
   have_tempSet =        0;
-}
+ }
 
 Globals::~Globals(){
   int i;
@@ -138,21 +150,21 @@ int Globals::componentAssign( event* the_event ){
   switch( the_event->evt.asmt.asmt_type ){
     
   case STRING:
-    current_component->assignString( the_event->evt.asmt.lhs,
-				     the_event->evt.asmt.rhs.sval );
-    return 1;
+    return current_component->assignString( the_event->evt.asmt.lhs,
+					    the_event->evt.asmt.rhs.sval,
+					    &(the_event->err_msg));
     break;
     
   case DOUBLE:
-    current_component->assignDouble( the_event->evt.asmt.lhs,
-				     the_event->evt.asmt.rhs.dval );
-    return 1;
+    return current_component->assignDouble( the_event->evt.asmt.lhs,
+					    the_event->evt.asmt.rhs.dval,
+					    &(the_event->err_msg));
     break;
     
   case INT:
-    current_component->assignInt( the_event->evt.asmt.lhs,
-				  the_event->evt.asmt.rhs.ival );
-    return 1;
+    return current_component->assignInt( the_event->evt.asmt.lhs,
+					 the_event->evt.asmt.rhs.ival,
+					 &(the_event->err_msg));
     break;
     
   default:
@@ -269,7 +281,18 @@ int Globals::globalAssign( event* the_event ){
 	strdup( "Global error. ensemble was not assigned to a string\n" );
       return 0;
       break;      
+
+    case G_MIXINGRULE:
+      if( the_type == STRING ){
+	strcpy( mixingRule, the_event->evt.asmt.rhs.sval );
+	return 1;
+      }
       
+      the_event->err_msg = 
+	strdup( "Global error. mixing rule was not assigned to a string\n" );
+      return 0;
+      break;      
+      
     case G_DT:
       switch( the_type ){
 	
@@ -689,6 +712,24 @@ int Globals::globalAssign( event* the_event ){
 	strdup( "Global error. tempSet was not \"true\" or \"false\".\n" );
       return 0;
       break;
+      
+    case G_USEPBC:
+      if( the_type == STRING ){
+	
+	if( !strcmp( "true", the_event->evt.asmt.rhs.sval )) usePBC = 1;
+	else if( !strcmp( "false", the_event->evt.asmt.rhs.sval )) usePBC = 0;
+	else{
+	  the_event->err_msg = 
+	    strdup( "Global error. periodicBoundryConditions was not \"true\" or \"false\".\n" );
+	  return 0;
+	}
+	return 1;
+      }
+      
+      the_event->err_msg = 
+	strdup( "Global error. tempSet was not \"true\" or \"false\".\n" );
+      return 0;
+      break;
     }
   }
   
@@ -793,9 +834,15 @@ int Globals::hash( char* text ){
 
     // if the key is less than zero, we've had an overflow error
 
-    fprintf( stderr,
+    sprintf( painCave.errMsg,
 	     "There has been an overflow error in the Globals' hash key.");
-    exit(0);
+    painCave.isFatal = 1;
+    simError();
+#ifdef IS_MPI
+    if( painCave.isEventLoop ){
+      if( worldRank == 0 ) mpiInterfaceExit();
+    }
+#endif //is_mpi
   }
   
   return key;
@@ -812,4 +859,4 @@ void Globals::addHash( char* text, int token ){
   key = hash( text );
   the_element->setNext( command_table[key] );
   command_table[key] = the_element;
-};
+}