--- trunk/mdtools/headers/ForceFields.hpp	2003/01/08 21:54:20	225
+++ trunk/mdtools/headers/ForceFields.hpp	2003/01/22 21:45:20	240
@@ -65,6 +65,7 @@ class ForceFields{ (public)
   virtual void initializeBonds( bond_pair* the_bonds ) = 0;
   virtual void initializeBends( bend_set* the_bends ) = 0;
   virtual void initializeTorsions( torsion_set* the_torsions ) = 0;
+  virtual void doForces( void ) = 0;
 
 protected:
   
@@ -87,6 +88,7 @@ class TraPPEFF : public ForceFields{ (public)
   void initializeBonds( bond_pair* the_bonds );
   void initializeBends( bend_set* the_bends );
   void initializeTorsions( torsion_set* the_torsions );
+  void doForces( void ) {}
 };
 
 
@@ -100,6 +102,7 @@ class DipoleTestFF : public ForceFields{ (public)
   void initializeBonds( bond_pair* the_bonds );
   void initializeBends( bend_set* the_bends );
   void initializeTorsions( torsion_set* the_torsions );
+  void doForces( void ) {}
 };
 
 class TraPPE_ExFF : public ForceFields{
@@ -112,6 +115,7 @@ class TraPPE_ExFF : public ForceFields{ (public)
   void initializeBonds( bond_pair* the_bonds );
   void initializeBends( bend_set* the_bends );
   void initializeTorsions( torsion_set* the_torsions );
+  void doForces( void ) {}
 };
 
 class LJ_FF : public ForceFields{
@@ -124,11 +128,25 @@ class LJ_FF : public ForceFields{ (public)
   void initializeBonds( bond_pair* the_bonds );
   void initializeBends( bend_set* the_bends );
   void initializeTorsions( torsion_set* the_torsions );
+  void setLJfortran( void (*fortranSub)( double* positionArray,
+					 double* forceArray,
+					 double* potentialEnergy,
+					 short int* doPotentialCalc ) ){
+    doLJfortran = fortranSub;
+  }
+  void doForces( void );
 
 private:
 
   void fastForward( char* stopText, char* searchOwner );
-
+  
+  // set our sister fortran module's function to be our own.
+  void wrapMe( void );
+  void (*doLJfortran)( double* positionArray,
+		       double* forceArray,
+		       double* potentialEnergy,
+		       short int* doPotentialCalc );
+  void initFortran( void );
 };
 
 #endif