| 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 | 836 | // declare the actual instances of the function pointers | 
| 8 | mmeineke | 377 |  | 
| 9 | mmeineke | 836 | makeAtype_TD makeAtype; | 
| 10 |  |  | initFortranFF_TD initFortranFF; | 
| 11 |  |  | set_sticky_params_TD set_sticky_params; | 
| 12 |  |  | set_gb_pair_params_TD set_gb_pair_params; | 
| 13 |  |  | newEAMtype_TD newEAMtype; | 
| 14 |  |  |  | 
| 15 |  |  | // declare the functions on the fortran side | 
| 16 |  |  |  | 
| 17 | gezelter | 832 | extern "C" { | 
| 18 | mmeineke | 377 |  | 
| 19 | mmeineke | 836 | typedef void (*ffWrapFunction_TD)( makeAtype_TD p1, | 
| 20 |  |  | initFortranFF_TD p2, | 
| 21 |  |  | doForceLoop_TD p3, | 
| 22 |  |  | set_sticky_params_TD p4, | 
| 23 |  |  | set_gb_pair_params_TD p5, | 
| 24 |  |  | newEAMtype_TD p6 ); | 
| 25 |  |  |  | 
| 26 |  |  | void F90_FUNC(wrapforcefield, WRAPFORCEFIELD)( ffWrapFunction_TD myWF ); | 
| 27 | mmeineke | 790 |  | 
| 28 | mmeineke | 836 | typedef void (*smWrapFunction_TD)( setFortranSim_TD p1, | 
| 29 |  |  | setFortranBox_TD p2, | 
| 30 |  |  | notifyFortranCutOff_TD p3 ); | 
| 31 |  |  |  | 
| 32 |  |  | void F90_FUNC(wrapsimmod, WRAPSIMMOD) ( smWrapFunction_TD myWF ); | 
| 33 |  |  |  | 
| 34 | mmeineke | 377 | #ifdef IS_MPI | 
| 35 | mmeineke | 836 |  | 
| 36 |  |  | typedef void (*spmWrapFunction_TD)( setFortranMPI_TD p1 ); | 
| 37 | mmeineke | 377 |  | 
| 38 | mmeineke | 836 | void F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD)(spmWrapFunction_TD myWF); | 
| 39 | gezelter | 832 |  | 
| 40 | mmeineke | 836 | #endif // is_mpi | 
| 41 | gezelter | 832 | } | 
| 42 |  |  |  | 
| 43 | mmeineke | 836 | // declare the functions that are defined in this file | 
| 44 |  |  | extern "C"{ | 
| 45 |  |  | void wrapFF(makeAtype_TD p1, | 
| 46 |  |  | initFortranFF_TD p2, | 
| 47 |  |  | doForceLoop_TD p3, | 
| 48 |  |  | set_sticky_params_TD p4, | 
| 49 |  |  | set_gb_pair_params_TD p5, | 
| 50 |  |  | newEAMtype_TD p6 ); | 
| 51 | mmeineke | 377 |  | 
| 52 | mmeineke | 836 | void wrapSimInfo(setFortranSim_TD p1, | 
| 53 |  |  | setFortranBox_TD p2, | 
| 54 |  |  | notifyFortranCutOff_TD p3 ); | 
| 55 |  |  |  | 
| 56 | mmeineke | 377 | #ifdef IS_MPI | 
| 57 | mmeineke | 836 | void wrapSimParallel( setFortranMPI_TD p1 ); | 
| 58 |  |  | #endif | 
| 59 | gezelter | 832 | } | 
| 60 | mmeineke | 377 |  | 
| 61 |  |  | // take care of the ForceField functions | 
| 62 |  |  |  | 
| 63 |  |  | ForceFields* currentFF; | 
| 64 |  |  | void wrapMeFF( ForceFields* thisFF ){ | 
| 65 |  |  |  | 
| 66 |  |  | currentFF = thisFF; | 
| 67 | gezelter | 747 | F90_FUNC(wrapforcefield, WRAPFORCEFIELD)( wrapFF ); | 
| 68 | mmeineke | 377 | } | 
| 69 |  |  |  | 
| 70 | mmeineke | 836 | extern "C" void wrapFF( makeAtype_TD p1, | 
| 71 |  |  | initFortranFF_TD p2, | 
| 72 |  |  | doForceLoop_TD p3, | 
| 73 |  |  | set_sticky_params_TD p4, | 
| 74 |  |  | set_gb_pair_params_TD p5, | 
| 75 |  |  | newEAMtype_TD p6 ){ | 
| 76 | mmeineke | 377 |  | 
| 77 |  |  | makeAtype = p1; | 
| 78 |  |  | initFortranFF = p2; | 
| 79 |  |  | currentFF->setFortranForceLoop( p3 ); | 
| 80 | mmeineke | 626 | set_sticky_params = p4; | 
| 81 |  |  | set_gb_pair_params = p5; | 
| 82 | chuckv | 631 | newEAMtype = p6; | 
| 83 | mmeineke | 377 | } | 
| 84 |  |  |  | 
| 85 |  |  |  | 
| 86 |  |  | // wrap the SimInfo functions | 
| 87 |  |  |  | 
| 88 |  |  | SimInfo* currentPlug; | 
| 89 |  |  | void wrapMeSimInfo( SimInfo* thePlug ){ | 
| 90 |  |  |  | 
| 91 |  |  | currentPlug = thePlug; | 
| 92 | gezelter | 747 | F90_FUNC(wrapsimmod, WRAPSIMMOD) ( wrapSimInfo ); | 
| 93 | mmeineke | 377 | } | 
| 94 |  |  |  | 
| 95 | gezelter | 832 |  | 
| 96 |  |  |  | 
| 97 | mmeineke | 836 | extern "C" void wrapSimInfo( setFortranSim_TD p1, | 
| 98 |  |  | setFortranBox_TD p2, | 
| 99 |  |  | notifyFortranCutOff_TD p3 ){ | 
| 100 |  |  |  | 
| 101 | mmeineke | 626 | currentPlug->setInternal( p1, p2, p3 ); | 
| 102 | mmeineke | 377 | } | 
| 103 |  |  |  | 
| 104 | gezelter | 747 |  | 
| 105 | mmeineke | 836 |  | 
| 106 | mmeineke | 377 | #ifdef IS_MPI | 
| 107 |  |  |  | 
| 108 |  |  | // wrap the mpiSim functions | 
| 109 |  |  |  | 
| 110 |  |  | mpiSimulation* currentMPIsim; | 
| 111 |  |  | void wrapMeSimParallel( mpiSimulation* thisMPIsim ){ | 
| 112 |  |  |  | 
| 113 |  |  | currentMPIsim = thisMPIsim; | 
| 114 | gezelter | 747 | F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) ( wrapSimParallel ); | 
| 115 | mmeineke | 377 | } | 
| 116 |  |  |  | 
| 117 | mmeineke | 836 | extern "C" void wrapSimParallel( setFortranMPI_TD p1 ){ | 
| 118 | mmeineke | 377 |  | 
| 119 |  |  | currentMPIsim->setInternal( p1 ); | 
| 120 |  |  | } | 
| 121 |  |  |  | 
| 122 |  |  |  | 
| 123 |  |  | #endif // is_mpi | 
| 124 | mmeineke | 790 |  |