--- trunk/OOPSE/libmdtools/mpiSimulation.hpp 2003/03/27 15:07:29 419 +++ trunk/OOPSE/libmdtools/mpiSimulation.hpp 2003/03/27 19:21:42 422 @@ -21,8 +21,11 @@ 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 ){