--- trunk/OOPSE/libmdtools/mpiSimulation.hpp 2003/03/27 15:07:29 419 +++ trunk/OOPSE/libmdtools/mpiSimulation.hpp 2003/10/28 22:25:46 836 @@ -21,11 +21,14 @@ class mpiSimulation{ (public) 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; } @@ -43,7 +46,7 @@ class mpiSimulation{ (public) 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.