--- branches/mmeineke/mdtools/headers/Atom.hpp	2002/07/09 18:40:59	10
+++ trunk/mdtools/headers/Atom.hpp	2002/09/24 22:10:55	117
@@ -12,7 +12,7 @@ class Atom{ (public)
     is_VDW = 0;
     is_LJ = 0;
   }
-  ~Atom() {}
+  virtual ~Atom() {}
   
   double getX() const {return c_x;}
   double getY() const {return c_y;}
@@ -102,7 +102,7 @@ class GeneralAtom : public Atom{ (public)
 
 public:
   GeneralAtom(){}
-  ~GeneralAtom(){}
+  virtual ~GeneralAtom(){}
 
   int isDirectional( void ){ return 0; }
   void zeroForces() {
@@ -114,7 +114,7 @@ class DirectionalAtom : public Atom { (public)
   
 public:
   DirectionalAtom() { ssdIdentity = 0; }
-  ~DirectionalAtom() {}
+  virtual ~DirectionalAtom() {}
 
   int isDirectional(void) { return 1; }
   
@@ -160,6 +160,8 @@ class DirectionalAtom : public Atom { (public)
   double getAzy( void ) { return Azy; }
   double getAzz( void ) { return Azz; }
 
+  void getA( double the_A[3][3] ); // get the full rotation matrix
+
   double getSUx( void ) { return sux; }
   double getSUy( void ) { return suy; }
   double getSUz( void ) { return suz; }