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root/group/branches/new_design/OOPSE-3.0/src/types/BondType.hpp
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Comparing branches/new_design/OOPSE-3.0/src/types/BondType.hpp (file contents):
Revision 1693 by tim, Mon Nov 1 21:37:13 2004 UTC vs.
Revision 1748 by tim, Wed Nov 17 21:47:42 2004 UTC

# Line 34 | Line 34 | namespace oopse {
34   #define TYPES_BONDTYPE_HPP
35  
36   namespace oopse {
37 <
37 >  
38   /**
39   * @class BondType BondType.hpp "types/BondType.hpp"
40 + * BondType class is responsible for calculating the force and energy of the bond
41   */
42   class BondType {
43      public:
44 <        BondType(AtomType* at1, AtomType* at2);
44 >        BondType(double myR0) : r0(myR0) {}
45          virtual ~BondType() {}
46  
47 <        virtual void calcForce(double len, double& force, double& potential) = 0;
47 >        virtual void calcForce(double r, double& V, double& dVdr) = 0;
48 >        double getEquilibriumBondLength() {return r0;}
49 >        void setEquilibriumBondLength(double myR0) { r0 = myR0; }
50  
51 <    protected:
52 <        AtomType* at1_;
50 <        AtomType* at2_;
51 <        
51 >    protected:        
52 >        double r0; /**equilibrium bond length< */
53   };    
54  
55  

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