--- trunk/OOPSE/libmdtools/mpiSimulation.hpp	2003/03/21 17:42:12	378
+++ trunk/OOPSE/libmdtools/mpiSimulation.hpp	2004/05/27 00:48:12	1198
@@ -14,22 +14,29 @@ class mpiSimulation{ (public)
   mpiSimulation(SimInfo* the_entryPlug);
   ~mpiSimulation();
   
-  int *divideLabor( void );
+  void divideLabor();
   
   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  getNprocessors(void) { return mpiPlug->nProcessors; }
+  int  getLocalNmol( void )         { return mpiPlug->nMolLocal; }
+  int  getLocalNatoms( void )       { return mpiPlug->nAtomsLocal; }
   int  getTotAtoms( void )       { return mpiPlug->nAtomsGlobal; }
-  
+  int  getTotNmol( void )        { return mpiPlug->nMolGlobal; }
+  int* getAtomToProcMap( void )  { return AtomToProcMap; }
+  int* getMolToProcMap( void )   { return MolToProcMap; }
+  int* getMolComponentType(void) { return MolComponentType; }
+  vector<int> getGlobalAtomIndex(void) {return globalAtomIndex; }
+  vector<int> getGlobalMolIndex(void) {return globalMolIndex;}
+  int getGlobalToLocalMol(int globalIndex) {return globalToLocalMol[globalIndex];}
+  int getGlobalToLocalAtom(int globalIndex) {return globalToLocalAtom[globalIndex];}
 
+
+  //void globalToLocalMol(int globalIndex, int& whichNode, int& localIndex);
+  //void globalToLocalAtom(int globalIndex, int& whichNode, int& localIndex);
+
   // sets the internal function pointer to fortran.
 
-  void setInternal( void (*fSetup) setFortranMPIlist ){
+  void setInternal( setFortranMPI_TD fSetup){
     setFsimParallel = fSetup;
   }
 
@@ -41,9 +48,17 @@ class mpiSimulation{ (public)
 protected:
   SimInfo* entryPlug;
   mpiSimData* mpiPlug;
-  
+  int *MolToProcMap;
+  int *MolComponentType;
+  int *AtomToProcMap;
+  int *AtomType;
+  vector<int> globalAtomIndex;
+  vector<int> globalMolIndex;
+
+  vector<int> globalToLocalMol;
+  vector<int> globalToLocalAtom;
   // private function to initialize the fortran side of the simulation
-  void (*setFsimParallel) setFortranMPIlist;
+  setFortranMPI_TD setFsimParallel;
 
   // int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is.