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root/OpenMD/trunk/src/primitives/Torsion.hpp
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Comparing trunk/src/primitives/Torsion.hpp (file contents):
Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC

# Line 1 | Line 1
1 < /*
1 > /*
2   * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
# Line 55 | Line 55 | namespace oopse {
55  
56   namespace oopse {
57  
58 < /**
59 < * @class Torsion Torsion.hpp "types/Torsion.hpp"
60 < */
61 < class Torsion {
62 <    public:
63 <        Torsion(Atom* atom1, Atom* atom2, Atom* atom3, Atom* atom4, TorsionType* tt);
64 <
65 <        virtual void calcForce();
58 >  /**
59 >   * @class Torsion Torsion.hpp "types/Torsion.hpp"
60 >   */
61 >  class Torsion {
62 >  public:
63 >    Torsion(Atom* atom1, Atom* atom2, Atom* atom3, Atom* atom4, TorsionType* tt);
64 >    virtual ~Torsion() {}
65 >    virtual void calcForce();
66          
67 <        double getPotential() {
68 <            return potential_;
69 <        }
67 >    double getPotential() {
68 >      return potential_;
69 >    }
70  
71 <        Atom* getAtomA() {
72 <            return atom1_;
73 <        }
71 >    Atom* getAtomA() {
72 >      return atom1_;
73 >    }
74  
75 <        Atom* getAtomB() {
76 <            return atom2_;
77 <        }
75 >    Atom* getAtomB() {
76 >      return atom2_;
77 >    }
78  
79 <        Atom* getAtomC() {
80 <            return atom3_;
81 <        }
79 >    Atom* getAtomC() {
80 >      return atom3_;
81 >    }
82  
83 <        Atom* getAtomD() {
84 <            return atom4_;
85 <        }
83 >    Atom* getAtomD() {
84 >      return atom4_;
85 >    }
86  
87 <        TorsionType * getTorsionType() {
88 <            return torsionType_;
89 <        }
87 >    TorsionType * getTorsionType() {
88 >      return torsionType_;
89 >    }
90          
91 <    protected:
91 >  protected:
92  
93 <        Atom* atom1_;
94 <        Atom* atom2_;
95 <        Atom* atom3_;
96 <        Atom* atom4_;
93 >    Atom* atom1_;
94 >    Atom* atom2_;
95 >    Atom* atom3_;
96 >    Atom* atom4_;
97  
98 <        TorsionType* torsionType_;
98 >    TorsionType* torsionType_;
99  
100 <        double potential_;
101 < };    
100 >    double potential_;
101 >  };    
102  
103   }
104   #endif //PRIMITIVES_TORSION_HPP

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