--- branches/new_design/OOPSE-2.0/src/primitives/Molecule.hpp	2004/11/01 22:52:57	1695
+++ branches/new_design/OOPSE-2.0/src/primitives/Molecule.hpp	2004/11/05 02:56:22	1713
@@ -38,13 +38,16 @@
 #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/Bond.hpp"
+//#include "primitives/Bend.hpp"
+//#include "primitives/Torsion.hpp"
+#include "primitives/SRI.hpp"
 #include "primitives/CutoffGroup.hpp"
 
 namespace oopse{
 
+class Constraint;
+
 /**
  * @class Molecule Molecule.hpp "primitives/Molecule.hpp"
  * @brief
@@ -135,6 +138,11 @@ class Molecule {
             return cutoffGroups_.size();
         }
 
+        /** Returns the total number of constraints in this molecule */
+        unsigned int getNConstraints() {
+            return constraints_.size();
+        }
+        
         /**
          * Returns the first atom in this molecule and initialize the iterator.
          * @return the first atom, return NULL if there is not cut off group in this molecule
@@ -202,6 +210,10 @@ class Molecule {
          */        
         CutoffGroup* nextCutoffGroup(std::vector<CutoffGroup*>::iterator& i);
 
+        Constraint* beginConstraint(std::vector<Constraint*>::iterator& i);
+
+        Constraint* nextConstraint(std::vector<Constraint*>::iterator& i);
+        
         //void setStampID( int info ) {stampID = info;} 
 
         void calcForces( void );
@@ -237,6 +249,9 @@ class Molecule {
         std::vector<RigidBody*> rigidBodies_;
         std::vector<StuntDouble*> integrableObjects_;
         std::vector<CutoffGroup*> cutoffGroups_;
+        std::vector<Constraint*> constraints_;
+
+        int stampID;
 };
 
 } //namespace oopse