--- branches/mmeineke/OOPSE/libmdtools/fortranWrappers.cpp 2003/03/21 17:42:12 377 +++ trunk/OOPSE/libmdtools/fortranWrappers.cpp 2003/10/28 17:04:06 832 @@ -1,52 +1,72 @@ #define __C + +#include "config.h" #include "fSimulation.h" -#include +#include "fortranWrappers.hpp" extern "C" { - - void wrapforcefield_( void (*wrapFunction)( void (*p1) makeAtypeList, - void (*p2) initFortranFFList, - void (*p3) doForceLoopList )); + void F90_FUNC(wrapforcefield, WRAPFORCEFIELD) (void (*wrapFunction)(void (*p1) makeAtypeList, + void (*p2) initFortranFFList, + void (*p3) doForceLoopList, + void (*p4) set_sticky_params_List, + void (*p5) set_gb_pair_params_List, + void (*p6) newEAMtype_List) + ); - void wrapsimmod_ ( void (*wrapFunction)( void (*p1) setFortranSimList, - void (*p2) setFortranBoxList) ); - + void F90_FUNC(wrapsimmod, WRAPSIMMOD) (void (*wrapFunction)(void (*p1) setFortranSimList, + void (*p2) setFortranBoxList, + void (*p3) notifyFortranCutOffList) + ); + #ifdef IS_MPI - void wrapsimparallelmod_( void (*wrapFunction)(void (*p1) setFortranMPIlist ) ); + void F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) (void (*wrapFunction)(void (*p1) setFortranMPIlist) ); #endif // is_mpi -} - void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList, - void (*p3) doForceLoopList ); + void (*p3) doForceLoopList, void (*p4) set_sticky_params_List, + void (*p5) set_gb_pair_params_List, void (*p6) newEAMtype_List); +} + +/* void (*makeAtype) makeAtypeList; void (*initFortranFF) initFortranFFList; +void (*set_sticky_params) set_sticky_params_List; +void (*set_gb_pair_params) set_gb_pair_params_List; +void (*newEAMtype) newEAMtype_List; +*/ -void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList ); +extern "C" { +void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList, + void (*p3) notifyFortranCutOffList ); #ifdef IS_MPI void wrapSimParallel(void (*p1) setFortranMPIlist ); #endif // is_mpi +} - // take care of the ForceField functions ForceFields* currentFF; void wrapMeFF( ForceFields* thisFF ){ currentFF = thisFF; - wrapforcefield_( wrapFF ); + F90_FUNC(wrapforcefield, WRAPFORCEFIELD)( wrapFF ); } - + void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList, - void (*p3) doForceLoopList ){ + void (*p3) doForceLoopList, void (*p4) set_sticky_params_List, + void (*p5) set_gb_pair_params_List, void (*p6) newEAMtype_List){ makeAtype = p1; initFortranFF = p2; currentFF->setFortranForceLoop( p3 ); + set_sticky_params = p4; + set_gb_pair_params = p5; + newEAMtype = p6; + } @@ -56,15 +76,17 @@ void wrapMeSimInfo( SimInfo* thePlug ){ void wrapMeSimInfo( SimInfo* thePlug ){ currentPlug = thePlug; - wrapsimmod_( wrapSimInfo ); + F90_FUNC(wrapsimmod, WRAPSIMMOD) ( wrapSimInfo ); } -void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList ){ - - currentPlug->setInternal( p1, p2 ); + +extern "C" void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList, + void (*p3) notifyFortranCutOffList){ + + currentPlug->setInternal( p1, p2, p3 ); } - + #ifdef IS_MPI // wrap the mpiSim functions @@ -73,7 +95,7 @@ void wrapMeSimParallel( mpiSimulation* thisMPIsim ){ void wrapMeSimParallel( mpiSimulation* thisMPIsim ){ currentMPIsim = thisMPIsim; - wrapsimparallelmod_( wrapSimParallel ); + F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) ( wrapSimParallel ); } void wrapSimParallel(void (*p1) setFortranMPIlist ){ @@ -83,3 +105,4 @@ void wrapSimParallel(void (*p1) setFortranMPIlist ){ #endif // is_mpi +