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root/group/branches/new_design/OOPSE-3.0/src/integrators/VelocityVerletIntegrator.hpp
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Comparing branches/new_design/OOPSE-3.0/src/integrators/VelocityVerletIntegrator.hpp (file contents):
Revision 1722 by tim, Tue Nov 9 23:11:39 2004 UTC vs.
Revision 1820 by tim, Thu Dec 2 00:09:35 2004 UTC

# Line 34 | Line 34 | namespace oopse {
34   #ifndef INTEGRATORS_VELOCITYVERLETINTEGRATOR_HPP
35   #define INTEGRATORS_VELOCITYVERLETINTEGRATOR_HPP
36  
37 + #include "integrators/Integrator.hpp"
38 + #include "integrators/RotationAlgorithm.hpp"
39 +
40   namespace oopse {
41  
42   /**
# Line 41 | Line 44 | class VelocityVerletIntegrator : Integrator {
44   * @brief  Velocity-Verlet Family Integrator
45   * Template pattern is used in VelocityVerletIntegrator class.
46   */
47 < class VelocityVerletIntegrator : Integrator {
47 > class VelocityVerletIntegrator : public Integrator {
48      public:
49          virtual ~VelocityVerletIntegrator();
50 +
51 +        void setRotationAlgorithm(RotationAlgorithm* algo) {
52 +            if (algo != rotAlgo && rotAlgo != NULL){            
53 +                delete rotAlgo;
54 +            }
55 +            
56 +            rotAlgo = algo;
57 +        }
58          
48 –        virtual void integrate();
49 –        
59      protected:
60  
61          VelocityVerletIntegrator(SimInfo* info);
62  
63 <        virtual void integrateStep();
63 >        virtual void doIntegrate();
64 >
65 >        virtual void initialize();
66 >
67 >        virtual void preStep();
68          
69 <        virtual void moveA() = 0;
57 <        
58 <        virtual void moveB() = 0;
69 >        virtual void postStep();
70  
71 <        virtual void thermalize();
71 >        virtual void finalize();
72 >
73 >        RotationAlgorithm* rotAlgo;
74          
75 <        virtual void calcForce(int needPotential, int needStress);
75 >        double dt2;
76  
77 +        double currSample;
78 +        double currStatus;
79 +        double currThermal;
80 +        
81      private:
82          
83 <        void velocitize();
83 >        virtual void integrateStep();
84 >        
85 >        virtual void calcForce(bool needPotential, bool needStress);    
86 >        
87 >        virtual void moveA() = 0;
88 >        
89 >        virtual void moveB() = 0;        
90  
91 <        void removeComDrift();
91 >        virtual DumpWriter* createDumpWriter();
92 >        
93 >        virtual StatWriter* createStatWriter();
94  
95   };
96  
97   } //end namespace oopse
98 < #endif //INTEGRATORS_VELOCITYVERLETINTEGRATOR_HPP
98 > #endif //INTEGRATORS_VELOCITYVERLETINTEGRATOR_HPP

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