--- trunk/OOPSE/libmdtools/mpiSimulation.hpp 2003/03/21 17:42:12 378 +++ trunk/OOPSE/libmdtools/mpiSimulation.hpp 2003/10/28 22:25:46 836 @@ -18,18 +18,17 @@ class mpiSimulation{ (public) 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 getMyNMol( void ) { return mpiPlug->myNMol; } int getMyNlocal( void ) { return mpiPlug->myNlocal; } 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; } + // sets the internal function pointer to fortran. - void setInternal( void (*fSetup) setFortranMPIlist ){ + void setInternal( setFortranMPI_TD fSetup){ setFsimParallel = fSetup; } @@ -41,9 +40,13 @@ class mpiSimulation{ (public) protected: SimInfo* entryPlug; mpiSimData* mpiPlug; - + int *MolToProcMap; + int *MolComponentType; + int *AtomToProcMap; + int *AtomType; + // 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.