--- trunk/OOPSE/libmdtools/Thermo.hpp	2004/04/20 16:56:40	1127
+++ trunk/OOPSE/libmdtools/Thermo.hpp	2004/08/23 15:11:36	1452
@@ -5,7 +5,7 @@
 #include "SRI.hpp"
 #include "SimInfo.hpp"
 #include "randomSPRNG.hpp"
-
+#include "ConstraintIterator.hpp"
 class Thermo{
 
 public:
@@ -18,6 +18,7 @@ class Thermo{ (public)
   double getKinetic(); // the total kinetic energy 
   double getPotential(); // the total potential energy
   double getTotalE(); // gets the total energy
+  double getConsEnergy(); //get contribution to energy from constraint
 
   double getTemperature(); // gives the instant temp. in K
 
@@ -40,10 +41,11 @@ class Thermo{ (public)
   void getCOMVel(double vdrift[3]);
   void getCOM(double COM[3]);
   void removeCOMdrift();
+  void removeAngularMomentum();
 
 private:
   SimInfo* info;
   gaussianSPRNG *gaussStream;
-  
+  ConstraintPairIterator* cpIter;
 };
 #endif