--- trunk/OOPSE/libmdtools/ConstraintElement.hpp	2004/06/03 21:51:55	1232
+++ trunk/OOPSE/libmdtools/ConstraintElement.hpp	2004/08/23 15:11:36	1452
@@ -3,8 +3,18 @@
 
 #include "RigidBody.hpp"
 #include "Atom.hpp"
+#include "Vector3d.hpp"
 
 
+class Vector3dData : public GenericData{
+  public:
+    Vector3d getData() {return vec;}
+    void setData(const Vector3d& rhs) { vec = rhs;}
+  private:
+    Vector3d vec;
+
+};
+
 //class ConstraintElement is designed to not only provide the interface of StuntDouble, but also 
 //neccessary functionality to retrieve old position, old velocity and etc.
 //First of all, those old data should be stored inside StuntDouble. We decide to store it on StuntDouble's
@@ -62,6 +72,7 @@ class ConstraintElement{
     void   setZangle(double zAngle) {refSd->setZangle(zAngle);}
     void   addZangle(double zAngle) {refSd->addZangle(zAngle);}
 
+    StuntDouble* getStuntDouble() {return refSd;}
 
     virtual void getOldPos(double pos[3])=0;
     virtual void getOldVel(double vel[3])=0;
@@ -75,6 +86,28 @@ class ConstraintElement{
     bool getMoving() {return movingData->getData();}
     void setMoving(bool status) {movingData->setData(status);}
 
+    //constraint force
+    void addConsForce(const Vector3d& frc){
+      Vector3d tempFrc;
+      tempFrc = consForceData->getData();
+      tempFrc += frc;
+      consForceData->setData(tempFrc);
+    }    
+    Vector3d getConsForce() { return consForceData->getData();}
+    void setConsTorque(const Vector3d& frc) {consForceData->setData(frc);}
+
+    
+    //constraint torque
+    void addConsTorque(const Vector3d& trq){
+      Vector3d tempTrq;
+      tempTrq = consTorqueData->getData();
+      tempTrq += trq;
+      consTorqueData->setData(tempTrq);
+    }    
+    Vector3d getConsTorque() { return consTorqueData->getData();}
+    void setConsForce(const Vector3d& trq) {consTorqueData->setData(trq);}
+    
+
     virtual void saveOldState() = 0;
     
   protected:
@@ -85,7 +118,8 @@ class ConstraintElement{
   private:
     BoolData* movedData;
     BoolData* movingData;
-
+    Vector3dData* consForceData;
+    Vector3dData* consTorqueData;
 };
 
 
@@ -98,6 +132,8 @@ struct ConsAtomInfo{
   double a[3][3];
   double j[3];
   double q[4];
+  double frc[3];
+  double trq[3];
 };
 
 class ConsAtomData : public GenericData{
@@ -180,13 +216,21 @@ class ConstraintRigidBody : public ConstraintElement{
     
     void getOldAtomPos(double pos[3]) {oldRb->getAtomPos(pos, consAtomIndex);}
     void getCurAtomPos(double pos[3]) {((RigidBody*)refSd)->getAtomPos(pos, consAtomIndex);}
-    
+
+    void getOldAtomVel(double vel[3]) {oldRb->getAtomVel(vel, consAtomIndex);};
+    void getCurAtomVel(double vel[3]) {((RigidBody*)refSd)->getAtomVel(vel, consAtomIndex);};
+
+    void getRefCoor(double pos[3]) {return ((RigidBody*)refSd)->getAtomRefCoor(pos, consAtomIndex);}
     RigidBody* getRigidBody() { return dynamic_cast<RigidBody*>(refSd);}
 
     virtual void saveOldState();
+
+    void restoreUnconsStatus();
+   
     
   private:
     int consAtomIndex;
     RigidBody* oldRb;
+
 };
 #endif // endif _CONSTRAINTELEMENT_H_