--- trunk/OOPSE/libmdtools/fortranWrapDefines.hpp	2003/07/17 20:32:24	635
+++ trunk/OOPSE/libmdtools/fortranWrapDefines.hpp	2004/06/01 18:42:58	1214
@@ -1,34 +1,110 @@
 #ifndef __FORTRAN_WRAP_DEFINES_H__
 #define __FORTRAN_WRAP_DEFINES_H__
 
-// this defines some function lists, that are too long to keep track
-// of everywhere
+#define __C
+#include "fSimulation.h"
 
-#define makeAtypeList ( int* unique_ident, int* isLJ, int* isSticky, int* isDipole, int* isGB, int* isEAM,double* lj_epslon, double* lj_sigma, double* dipole_moment, int* status )
+// here we declare the function pointer typedefs for fortran functions
 
-#define newEAMtype_List ( double* lattice_constant, int* eam_nrho,double* eam_drho,int* eam_nr, double* eam_dr, double* eam_rcut, double* eam_rvals, double* eam_rhovals, double* eam_Frhovals, int* eam_ident, int* status )
+extern "C" {
 
+  typedef void (*makeAtype_TD) ( int* unique_ident, 
+				 int* isLJ, 
+				 int* isSticky,
+				 int* isDipole, 
+				 int* isGB, 
+				 int* isEAM,
+                                 int* isCharge,
+				 double* lj_epslon, 
+				 double* lj_sigma, 
+                                 double* charge,
+				 double* dipole_moment, 
+				 int* status );
 
+  typedef void (*newEAMtype_TD)( double* lattice_constant, 
+				 int* eam_nrho,
+				 double* eam_drho,
+				 int* eam_nr,
+				 double* eam_dr,
+				 double* eam_rcut,
+				 double* eam_rvals, 
+				 double* eam_rhovals,
+				 double* eam_Frhovals,
+				 int* eam_ident,
+				 int* status );
+  
+  typedef void (*initFortranFF_TD)( int* LJ_mix_policy, 
+				    int* useReactionField,
+				    int *isError );
+  
+  typedef void (*doForceLoop_TD)( double* positionArray,
+  				  double* rcArray,
+				  double* RotationMatrixArray,
+				  double* unitVectorArray_l,
+				  double* forceArray,
+				  double *torqueArray,
+				  double* StressTensor, 
+				  double* potentialEnergy, 
+				  short int* doPotentialCalc, 
+				  short int* doStressCalc,
+				  int* isError );
+				 
+  typedef void (*set_sticky_params_TD)( double* sticky_w0, 
+					double* sticky_v0,
+					double* sticky_v0p,
+					double* sticky_rl,
+					double* sticky_ru,
+					double* sticky_rlp,
+					double* sticky_rup );
 
-#define initFortranFFList ( int* LJ_mix_policy, int* useReactionField, int *isError )
+  typedef void (*set_gb_pair_params_TD)( double* GB_sigma,
+					 double* GB_l2b_ratio,
+					 double* GB_eps,
+					 double* GB_eps_ratio,
+					 double* GB_mu,
+					 double* GB_nu );
 
-#define doForceLoopList ( double* positionArray, double* RotationMatrixArray, double* unitVectorArray_l, double* forceArray, double *torqueArray, double* StressTensor, double* potentialEnergy, short int* doPotentialCalc, short int* doStressCalc, int* isError )
+  typedef void (*setFortranSim_TD)( simtype* the_Info,
+				    int* nGlobal, 
+				    int* nLocal, 
+				    int* identArray,
+				    int* nLocalExcludes,
+				    int* excludesLocalArray,
+				    int* nGlobalExcludes,
+				    int* excludesGlobalArray,
+				    int* molMembershipArray,
+				    double* mfact,
+				    int* ngroup,
+				    int* globalGroupMembership,
+				    int* isError );
 
-#define set_sticky_params_List ( double* sticky_w0, double* sticky_v0, double* sticky_v0p, double* sticky_rl, double* sticky_ru, double* sticky_rlp, double* sticky_rup )
+  typedef void (*setFortranBox_TD) ( double *Hmat,
+				     double *HmatI,
+				     int* orthoRhombic );
 
-#define set_gb_pair_params_List ( double* GB_sigma, double* GB_l2b_ratio, double* GB_eps, double* GB_eps_ratio, double* GB_mu, double* GB_nu )
+  typedef void (*notifyFortranCutOff_TD) ( double *rCut,
+                                           double *rSw,
+					   double *rList );
+}
 
-#define setFortranSimList ( simtype* the_Info, int* nGlobal, int* nLocal, int* identArray, int* nLocalExcludes, int* excludesLocalArray, int* nGloabalsExcludes, int* excludesGlobalArray, int* molMembershipArray, int* isError )
 
-#define setFortranBoxList ( double *Hmat, double *HmatI, int* orthoRhombic  )
-// BoxArray is a length 3 array
+#ifdef IS_MPI
 
-#define notifyFortranCutOffList ( double *rCut, double *rList, double *ecr, double *est )
+#include "mpiComponentPlan.h"
 
-#ifdef IS_MPI
 
-#define setFortranMPIlist (mpiSimData* the_mpiPlug, int *nLocal, int* globalIndexArray, int* isError )
 
+extern "C" {
+  
+  typedef void (*setFortranMPI_TD)( mpiSimData* the_mpiPlug,
+				    int* nLocal, 
+				    int* globalAtomIndex,
+                                    int* nGroupsLocal,
+                                    int* globalGroupIndex,
+				    int* isError );
+
+}
+
 #endif // is_mpi
 
 #endif // frotranWrapDefines.hpp