| 1 | mmeineke | 377 | #define __C | 
| 2 | gezelter | 747 |  | 
| 3 |  |  | #include "config.h" | 
| 4 | mmeineke | 377 | #include "fSimulation.h" | 
| 5 | mmeineke | 790 | #include "fortranWrappers.hpp" | 
| 6 | mmeineke | 377 |  | 
| 7 | mmeineke | 793 | extern "C"{ | 
| 8 | mmeineke | 377 |  | 
| 9 | gezelter | 747 | void F90_FUNC(wrapforcefield, WRAPFORCEFIELD) (void (*wrapFunction)(void (*p1) makeAtypeList, | 
| 10 | mmeineke | 790 | 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 | mmeineke | 377 |  | 
| 17 | gezelter | 747 | void F90_FUNC(wrapsimmod, WRAPSIMMOD) (void (*wrapFunction)(void (*p1) setFortranSimList, | 
| 18 | mmeineke | 790 | void (*p2) setFortranBoxList, | 
| 19 |  |  | void (*p3) notifyFortranCutOffList) | 
| 20 |  |  | ); | 
| 21 |  |  |  | 
| 22 | mmeineke | 377 | #ifdef IS_MPI | 
| 23 | gezelter | 747 | void F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) (void (*wrapFunction)(void (*p1) setFortranMPIlist) ); | 
| 24 | mmeineke | 377 | #endif // is_mpi | 
| 25 | mmeineke | 793 | } | 
| 26 | mmeineke | 377 |  | 
| 27 |  |  | void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList, | 
| 28 | mmeineke | 626 | void (*p3) doForceLoopList, void (*p4) set_sticky_params_List, | 
| 29 | chuckv | 631 | void (*p5) set_gb_pair_params_List, void (*p6) newEAMtype_List); | 
| 30 | mmeineke | 377 | void (*makeAtype) makeAtypeList; | 
| 31 |  |  | void (*initFortranFF) initFortranFFList; | 
| 32 | chuckv | 460 | void (*set_sticky_params) set_sticky_params_List; | 
| 33 |  |  | void (*set_gb_pair_params) set_gb_pair_params_List; | 
| 34 | chuckv | 631 | void (*newEAMtype) newEAMtype_List; | 
| 35 | mmeineke | 377 |  | 
| 36 | mmeineke | 626 | void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList, | 
| 37 |  |  | void (*p3) notifyFortranCutOffList ); | 
| 38 | mmeineke | 377 |  | 
| 39 |  |  | #ifdef IS_MPI | 
| 40 |  |  | void wrapSimParallel(void (*p1) setFortranMPIlist ); | 
| 41 |  |  | #endif // is_mpi | 
| 42 |  |  |  | 
| 43 |  |  |  | 
| 44 |  |  | // take care of the ForceField functions | 
| 45 |  |  |  | 
| 46 |  |  | ForceFields* currentFF; | 
| 47 |  |  | void wrapMeFF( ForceFields* thisFF ){ | 
| 48 |  |  |  | 
| 49 |  |  | currentFF = thisFF; | 
| 50 | gezelter | 747 | F90_FUNC(wrapforcefield, WRAPFORCEFIELD)( wrapFF ); | 
| 51 | mmeineke | 377 | } | 
| 52 |  |  |  | 
| 53 | gezelter | 747 |  | 
| 54 | mmeineke | 377 | void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList, | 
| 55 | mmeineke | 626 | void (*p3) doForceLoopList, void (*p4) set_sticky_params_List, | 
| 56 | chuckv | 631 | void (*p5) set_gb_pair_params_List, void (*p6) newEAMtype_List){ | 
| 57 | mmeineke | 377 |  | 
| 58 |  |  | makeAtype = p1; | 
| 59 |  |  | initFortranFF = p2; | 
| 60 |  |  | currentFF->setFortranForceLoop( p3 ); | 
| 61 | mmeineke | 626 | set_sticky_params = p4; | 
| 62 |  |  | set_gb_pair_params = p5; | 
| 63 | chuckv | 631 | newEAMtype = p6; | 
| 64 | gezelter | 747 |  | 
| 65 | mmeineke | 377 | } | 
| 66 |  |  |  | 
| 67 |  |  |  | 
| 68 |  |  | // wrap the SimInfo functions | 
| 69 |  |  |  | 
| 70 |  |  | SimInfo* currentPlug; | 
| 71 |  |  | void wrapMeSimInfo( SimInfo* thePlug ){ | 
| 72 |  |  |  | 
| 73 |  |  | currentPlug = thePlug; | 
| 74 | gezelter | 747 | F90_FUNC(wrapsimmod, WRAPSIMMOD) ( wrapSimInfo ); | 
| 75 | mmeineke | 377 | } | 
| 76 |  |  |  | 
| 77 | mmeineke | 626 | void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList, | 
| 78 |  |  | void (*p3) notifyFortranCutOffList){ | 
| 79 | mmeineke | 377 |  | 
| 80 | mmeineke | 626 | currentPlug->setInternal( p1, p2, p3 ); | 
| 81 | mmeineke | 377 | } | 
| 82 |  |  |  | 
| 83 | gezelter | 747 |  | 
| 84 | mmeineke | 377 | #ifdef IS_MPI | 
| 85 |  |  |  | 
| 86 |  |  | // wrap the mpiSim functions | 
| 87 |  |  |  | 
| 88 |  |  | mpiSimulation* currentMPIsim; | 
| 89 |  |  | void wrapMeSimParallel( mpiSimulation* thisMPIsim ){ | 
| 90 |  |  |  | 
| 91 |  |  | currentMPIsim = thisMPIsim; | 
| 92 | gezelter | 747 | F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) ( wrapSimParallel ); | 
| 93 | mmeineke | 377 | } | 
| 94 |  |  |  | 
| 95 |  |  | void wrapSimParallel(void (*p1) setFortranMPIlist ){ | 
| 96 |  |  |  | 
| 97 |  |  | currentMPIsim->setInternal( p1 ); | 
| 98 |  |  | } | 
| 99 |  |  |  | 
| 100 |  |  |  | 
| 101 |  |  | #endif // is_mpi | 
| 102 | mmeineke | 790 |  |