--- trunk/OOPSE/libmdtools/fortranWrappers.cpp 2003/03/21 17:42:12 378 +++ trunk/OOPSE/libmdtools/fortranWrappers.cpp 2003/10/28 16:03:37 829 @@ -1,30 +1,39 @@ #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 )); +extern 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) ); - +extern 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 ) ); +extern 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 ); +void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList, + void (*p3) notifyFortranCutOffList ); #ifdef IS_MPI void wrapSimParallel(void (*p1) setFortranMPIlist ); @@ -37,16 +46,21 @@ void wrapMeFF( ForceFields* thisFF ){ 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 +70,16 @@ 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 ){ +void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList, + void (*p3) notifyFortranCutOffList){ - currentPlug->setInternal( p1, p2 ); + currentPlug->setInternal( p1, p2, p3 ); } - + #ifdef IS_MPI // wrap the mpiSim functions @@ -73,7 +88,7 @@ void wrapMeSimParallel( mpiSimulation* thisMPIsim ){ void wrapMeSimParallel( mpiSimulation* thisMPIsim ){ currentMPIsim = thisMPIsim; - wrapsimparallelmod_( wrapSimParallel ); + F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) ( wrapSimParallel ); } void wrapSimParallel(void (*p1) setFortranMPIlist ){ @@ -83,3 +98,4 @@ void wrapSimParallel(void (*p1) setFortranMPIlist ){ #endif // is_mpi +