| 1 | #define __C | 
| 2 |  | 
| 3 | #include "config.h" | 
| 4 | #include "fSimulation.h" | 
| 5 | #include <fortranWrappers.hpp> | 
| 6 |  | 
| 7 | extern "C" { | 
| 8 |  | 
| 9 | void F90_FUNC(wrapforcefield, WRAPFORCEFIELD) (void (*wrapFunction)(void (*p1) makeAtypeList, | 
| 10 | void (*p2) initFortranFFList, | 
| 11 | void (*p3) doForceLoopList, | 
| 12 | void (*p4) set_sticky_params_List, | 
| 13 | void (*p5) set_gb_pair_params_List, | 
| 14 | void (*p6) newEAMtype_List) | 
| 15 | ); | 
| 16 |  | 
| 17 | void F90_FUNC(wrapsimmod, WRAPSIMMOD) (void (*wrapFunction)(void (*p1) setFortranSimList, | 
| 18 | void (*p2) setFortranBoxList, | 
| 19 | void (*p3) notifyFortranCutOffList) | 
| 20 | ); | 
| 21 |  | 
| 22 | #ifdef IS_MPI | 
| 23 | void F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) (void (*wrapFunction)(void (*p1) setFortranMPIlist) ); | 
| 24 | #endif // is_mpi | 
| 25 |  | 
| 26 | } | 
| 27 |  | 
| 28 |  | 
| 29 | void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList, | 
| 30 | void (*p3) doForceLoopList, void (*p4) set_sticky_params_List, | 
| 31 | void (*p5) set_gb_pair_params_List, void (*p6) newEAMtype_List); | 
| 32 | void (*makeAtype) makeAtypeList; | 
| 33 | void (*initFortranFF) initFortranFFList; | 
| 34 | void (*set_sticky_params) set_sticky_params_List; | 
| 35 | void (*set_gb_pair_params) set_gb_pair_params_List; | 
| 36 | void (*newEAMtype) newEAMtype_List; | 
| 37 |  | 
| 38 | void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList, | 
| 39 | void (*p3) notifyFortranCutOffList ); | 
| 40 |  | 
| 41 | #ifdef IS_MPI | 
| 42 | void wrapSimParallel(void (*p1) setFortranMPIlist ); | 
| 43 | #endif // is_mpi | 
| 44 |  | 
| 45 |  | 
| 46 | // take care of the ForceField functions | 
| 47 |  | 
| 48 | ForceFields* currentFF; | 
| 49 | void wrapMeFF( ForceFields* thisFF ){ | 
| 50 |  | 
| 51 | currentFF = thisFF; | 
| 52 | F90_FUNC(wrapforcefield, WRAPFORCEFIELD)( wrapFF ); | 
| 53 | } | 
| 54 |  | 
| 55 |  | 
| 56 | void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList, | 
| 57 | void (*p3) doForceLoopList, void (*p4) set_sticky_params_List, | 
| 58 | void (*p5) set_gb_pair_params_List, void (*p6) newEAMtype_List){ | 
| 59 |  | 
| 60 | makeAtype = p1; | 
| 61 | initFortranFF = p2; | 
| 62 | currentFF->setFortranForceLoop( p3 ); | 
| 63 | set_sticky_params = p4; | 
| 64 | set_gb_pair_params = p5; | 
| 65 | newEAMtype = p6; | 
| 66 |  | 
| 67 | } | 
| 68 |  | 
| 69 |  | 
| 70 | // wrap the SimInfo functions | 
| 71 |  | 
| 72 | SimInfo* currentPlug; | 
| 73 | void wrapMeSimInfo( SimInfo* thePlug ){ | 
| 74 |  | 
| 75 | currentPlug = thePlug; | 
| 76 | F90_FUNC(wrapsimmod, WRAPSIMMOD) ( wrapSimInfo ); | 
| 77 | } | 
| 78 |  | 
| 79 | void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList, | 
| 80 | void (*p3) notifyFortranCutOffList){ | 
| 81 |  | 
| 82 | currentPlug->setInternal( p1, p2, p3 ); | 
| 83 | } | 
| 84 |  | 
| 85 |  | 
| 86 | #ifdef IS_MPI | 
| 87 |  | 
| 88 | // wrap the mpiSim functions | 
| 89 |  | 
| 90 | mpiSimulation* currentMPIsim; | 
| 91 | void wrapMeSimParallel( mpiSimulation* thisMPIsim ){ | 
| 92 |  | 
| 93 | currentMPIsim = thisMPIsim; | 
| 94 | F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) ( wrapSimParallel ); | 
| 95 | } | 
| 96 |  | 
| 97 | void wrapSimParallel(void (*p1) setFortranMPIlist ){ | 
| 98 |  | 
| 99 | currentMPIsim->setInternal( p1 ); | 
| 100 | } | 
| 101 |  | 
| 102 |  | 
| 103 | #endif // is_mpi |