--- branches/new_design/OOPSE-2.0/src/primitives/Molecule.hpp	2004/11/12 06:19:04	1733
+++ branches/new_design/OOPSE-2.0/src/primitives/Molecule.hpp	2004/12/03 21:30:30	1843
@@ -38,10 +38,9 @@
 #include "math/Vector3.hpp"
 #include "primitives/Atom.hpp"
 #include "primitives/RigidBody.hpp"
-//#include "primitives/Bond.hpp"
-//#include "primitives/Bend.hpp"
-//#include "primitives/Torsion.hpp"
-#include "primitives/SRI.hpp"
+#include "primitives/Bond.hpp"
+#include "primitives/Bend.hpp"
+#include "primitives/Torsion.hpp"
 #include "primitives/CutoffGroup.hpp"
 
 namespace oopse{
@@ -233,15 +232,12 @@ class Molecule {
 
         Constraint* nextConstraint(std::vector<Constraint*>::iterator& i);
         
-        //void setStampID( int info ) {stampID = info;} 
 
-        void calcForces( void );
-
-        void atoms2rigidBodies( void );
-
         /** return the total potential energy of short range interaction of this molecule */
         double getPotential();
 
+        /** get total mass of this molecule */        
+        double getMass();
 
         /** return the center of mass of this molecule */
         Vector3d getCom();