--- trunk/mdtools/headers/ForceFields.hpp	2003/01/10 21:55:45	233
+++ trunk/mdtools/headers/ForceFields.hpp	2003/01/30 15:20:21	253
@@ -41,19 +41,8 @@ class torsion_set{ (public)
   int d;
 };
 
-// typedef struct{
-//   int a, b;
-// } bond_pair;
 
-// typedef struct{
-//   int a, b, c;
-// } bend_set;
 
-// typedef struct{
-//   int a, b, c, d;
-// } torsion_set;
-
-
 class ForceFields{
 
 public:
@@ -65,6 +54,7 @@ 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( int calcPot ) = 0;
 
 protected:
   
@@ -87,6 +77,7 @@ 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( int ) {}
 };
 
 
@@ -100,6 +91,7 @@ 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( int ) {}
 };
 
 class TraPPE_ExFF : public ForceFields{
@@ -112,6 +104,7 @@ 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( int ) {}
 };
 
 class LJ_FF : public ForceFields{
@@ -130,8 +123,8 @@ class LJ_FF : public ForceFields{ (public)
 					 short int* doPotentialCalc ) ){
     doLJfortran = fortranSub;
   }
+  void doForces( int );
 
-
 private:
 
   void fastForward( char* stopText, char* searchOwner );
@@ -142,7 +135,7 @@ class LJ_FF : public ForceFields{ (public)
 		       double* forceArray,
 		       double* potentialEnergy,
 		       short int* doPotentialCalc );
-
+  void initFortran( void );
 };
 
 #endif