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root/group/trunk/OOPSE/libmdtools/ConstraintAlgorithm.hpp
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Comparing trunk/OOPSE/libmdtools/ConstraintAlgorithm.hpp (file contents):
Revision 1248 by tim, Fri Jun 4 19:30:05 2004 UTC vs.
Revision 1268 by tim, Fri Jun 11 17:16:21 2004 UTC

# Line 15 | Line 15 | enum ConsAlgoStatus{
15   class SimInfo;
16  
17   enum ConsAlgoStatus{
18 <  consPairHandlerFail = -3,
19 <  consElemHandlerFail = -2,
20 <  consFail = -1,
21 <  consSuccess = 0,
22 <  consAlready = 1};
18 >  consExceedMaxIter = -4, //can not constrain the bond within maximum iteration
19 >  consPairHandlerFail = -3, //can not found call back functor for constraint pair
20 >  consElemHandlerFail = -2, //can not found callback functor for constraint element
21 >  consFail = -1,  //Constraint Fail
22 >  consSuccess = 0,  //constrain the pair by moving two elements
23 >  consAlready = 1}; //current pair is already constrained, do not need to move the elements
24  
25   ////////////////////////////////////////////////////////////////////////////////
26   //Declaration of ConstraintAlgorithm
# Line 31 | Line 32 | class ConstraintAlgorithm{
32   class ConstraintAlgorithm{
33  
34    public:
35 <    ~ConstraintAlgorithm();
36 <    virtual void doConstrain();
35 >  virtual ~ConstraintAlgorithm();
36 >  virtual void doConstrain();
37  
38      //using RTTI (Run Time Type Information) to dispatch
39      int doConstrainPair(ConstraintPair* consPair);
# Line 68 | Line 69 | class ConsAlgoFramework{
69      
70   };
71  
72 + //Velocity Verlet constraint algorithm frame work
73 + class VelVerletConsFramework : public ConsAlgoFramework{
74 +  public:
75 +    virtual int doConstrainA() = 0;
76 +    virtual int doConstrainB() = 0;
77 +  protected:
78 +    VelVerletConsFramework(SimInfo* rhs) : ConsAlgoFramework(rhs){}
79 + };
80 +
81   #endif //endif _CONSTRAINTALGORITHM_H_

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