--- trunk/mdtools/headers/mpiSimulation.hpp	2002/12/10 21:41:23	201
+++ trunk/mdtools/headers/mpiSimulation.hpp	2003/01/30 15:20:21	253
@@ -3,48 +3,63 @@
 
 #include "SimInfo.hpp"
 #include "MakeStamps.hpp"
+#define __C
+#include "mpiComponentPlan.h"
 
+
 class mpiSimulation{
 public:
 
   mpiSimulation(SimInfo* the_entryPlug);
   ~mpiSimulation();
   
-  void divideLabor( void );
+  int *divideLabor( void );
   
-  int  getMyNode(void)        { return myNode; }
-  int  getMyMolStart( void )  { return myMolStart; }
-  int  getMyMolEnd( void )    { return myMlEnd; }
-  int  getMyMol( void )       { return myMol; }
-  int  getMyAtomStart( void ) { return myAtomStart; }
-  int  getMyAtomEnd( void )   { return myAtomEnd; }
-  int  getMyNlocal( void )    { return myNlocal; }
+  int  getMyNode(void)           { return mpiPlug->myNode; }
+  int  getNumberProcessors(void) { return mpiPlug->numberProcessors; }
+  int  getMyMolStart( void )     { return mpiPlug->myMolStart; }
+  int  getMyMolEnd( void )       { return mpiPlug->myMolEnd; }
+  int  getMyMol( void )          { return mpiPlug->myMol; }
+  int  getMyAtomStart( void )    { return mpiPlug->myAtomStart; }
+  int  getMyAtomEnd( void )      { return mpiPlug->myAtomEnd; }
+  int  getMyNlocal( void )       { return mpiPlug->myNlocal; }
+  int  getTotAtoms( void )       { return mpiPlug->nAtomsGlobal; }
   
 
-private:
+  // sets the internal function pointer to fortran.
 
+  void setInternal( void (*fSetup)( mpiSimData*, int*, int*, int*) ){
+    setFsimParallel = fSetup;
+  }
+
+
+  // call at the begining and after load balancing
+  
+  void mpiRefresh( void );
+
 protected:
   SimInfo* entryPlug;
+  mpiSimData* mpiPlug;
+
+  // function to wrap the fortran function
+  void wrapMe();
   
-  int myMolStart;
-  int myMolEnd;
-  int myAtomStart, myAtomEnd;
-  int myMol;
-  int myNlocal;
-  int *myIdents;
-  int  numberProcessors;
-  int  myNode;
-  //  int  processorNameLen;
-  //  char* processorName;
-  int  natomsRow,natomsCol;
-  int  numberCols,numberRows;
-  int  nmolsRow,nmolsCol,nmolsLocal;
+  // private function to initialize the fortran side of the simulation
+  void (*setFsimParallel)(mpiSimData* the_mpiPlug, int *nLocal,
+			  int* globalIndex, int* isError );
 
+  // int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is.
 
-  int simTotAtoms, simTotBonds, simTotBends, simTotTorsions;
-  int simTotSRI, simTotNmol;
-
 };
 
 
+/**
+   The following pointer is the global declaration of the mpiSim
+   object created when the mpiSimulation creation routine is
+   called. Every one who includes the header file will then have
+   access to all of the routines in mpiSimulation class. 
+*/ 
+
+extern mpiSimulation* mpiSim;
+
 #endif