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root/group/trunk/OOPSE/libmdtools/Roll.hpp
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Comparing trunk/OOPSE/libmdtools/Roll.hpp (file contents):
Revision 1254 by tim, Wed Jun 9 16:16:33 2004 UTC vs.
Revision 1284 by tim, Mon Jun 21 18:52:21 2004 UTC

# Line 8 | Line 8 | class DCRollAFunctor : public DCRattleAFunctor{
8   class DCRollAFunctor : public DCRattleAFunctor{
9    public:
10      DCRollAFunctor(SimInfo* info) : DCRattleAFunctor(info) {}
11 <    //virtual int operator()(ConstraintAtom* consAtom1, ConstraintAtom* consAtom2);
11 >    virtual int operator()(ConstraintAtom* consAtom1, ConstraintAtom* consAtom2);
12      //virtual int operator()(ConstraintAtom* consAtom,ConstraintRigidBody* consRB);
13      virtual int operator()(ConstraintRigidBody* consRB1, ConstraintRigidBody* consRB2);
14    private:
15 <    void getEffInvMassVec(ConstraintRigidBody* consRB, const Vector3d& bondDir, Vector3d& invMassVec);
15 >
16 >    void calcZeta(ConstraintAtom* consAtom, const Vector3d& bondDir, Vector3d&zeta);
17 >    void integrate(ConstraintAtom* consAtom, const Vector3d& force);
18 >    
19 >    void calcZeta(ConstraintRigidBody* consRB, const Vector3d& bondDir, Vector3d& zeta);
20      void integrate(ConstraintRigidBody* consRB, const Vector3d& force);
21      void rotationPropagation(StuntDouble* sd, double ji[3]);
22      void rotate(int axes1, int axes2, double angle, double ji[3], double A[3][3]);
# Line 50 | Line 54 | class DCRollBFunctor : public DCRattleBFunctor{
54      //virtual int operator()(ConstraintAtom* consAtom,ConstraintRigidBody* consRB);
55      virtual int operator()(ConstraintRigidBody* consRB1, ConstraintRigidBody* consRB2);
56    private:
57 <    void getEffInvMassVec(ConstraintRigidBody* consRB, const Vector3d& bondDir, Vector3d& invMassVec);
57 >    void getZeta(ConstraintRigidBody* consRB, const Vector3d& bondDir, Vector3d& zeta);
58      void integrate(ConstraintRigidBody* consRB, const Vector3d& force);
59   };
60  
# Line 81 | Line 85 | class RollB : public ConstraintAlgorithm{
85   ////////////////////////////////////////////////////////////////////////////////
86   //class RattleAlgorithm will encapsulate preConstraint, RattleA and RattleB
87   //actually, we could use factory pattern to seperate the creation process
88 < class RollFramework : public ConsAlgoFramework{
88 > class RollFramework : public VelVerletConsFramework{
89    public:
90 <    RollFramework(SimInfo* rhs) : ConsAlgoFramework(rhs){
90 >    RollFramework(SimInfo* rhs) : VelVerletConsFramework(rhs){
91        raAlgo = new RollA(rhs);
92        rbAlgo = new RollB(rhs);      
93      }
# Line 93 | Line 97 | class RollFramework : public ConsAlgoFramework{
97        delete rbAlgo;
98      }
99      
100 <    int doRollA(){
100 >    virtual int doConstrainA(){
101        raAlgo->doConstrain();
102        return raAlgo->haveError()? -1 : 1;
103  
104      }
105      
106 <   int doRollB(){
106 >   virtual int doConstrainB(){
107        rbAlgo->doConstrain();
108        return rbAlgo->haveError()? -1 : 1;
109  

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