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root/group/trunk/OOPSE-3.0/src/types/DirectionalAtomType.hpp
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Comparing trunk/OOPSE-3.0/src/types/DirectionalAtomType.hpp (file contents):
Revision 2094 by gezelter, Wed Mar 9 14:26:15 2005 UTC vs.
Revision 2204 by gezelter, Fri Apr 15 22:04:00 2005 UTC

# Line 47 | Line 47 | namespace oopse {
47  
48   namespace oopse {
49  
50 < /**
51 < * @class DirectionalAtomType
52 < *
53 < * DirectionalAtomType is what OOPSE looks to for unchanging data
54 < * about a directional atoms.
55 < */
56 < class DirectionalAtomType : public AtomType {
50 >  /**
51 >   * @class DirectionalAtomType
52 >   *
53 >   * DirectionalAtomType is what OOPSE looks to for unchanging data
54 >   * about a directional atoms.
55 >   */
56 >  class DirectionalAtomType : public AtomType {
57  
58 <    public:
58 >  public:
59  
60 <        DirectionalAtomType() : AtomType() { atp.is_Directional = 1; }
60 >    DirectionalAtomType() : AtomType() { atp.is_Directional = 1; }
61  
62 <        Mat3x3d getI() {return I;}
62 >    Mat3x3d getI() {return I;}
63  
64 <        void    setI(Mat3x3d theI) {I = theI;}
64 >    void    setI(Mat3x3d theI) {I = theI;}
65  
66 <        RotMat3x3d getElectroBodyFrame() {
67 <            return electroBodyFrame_;
68 <        }
66 >    RotMat3x3d getElectroBodyFrame() {
67 >      return electroBodyFrame_;
68 >    }
69  
70 <        void setElectroBodyFrame(const RotMat3x3d& electroBodyFrame) {
71 <            electroBodyFrame_ =electroBodyFrame;
72 <        }
70 >    void setElectroBodyFrame(const RotMat3x3d& electroBodyFrame) {
71 >      electroBodyFrame_ =electroBodyFrame;
72 >    }
73  
74 <        void setDipole() { atp.is_Dipole = 1; }
75 <        void setSplitDipole() { atp.is_SplitDipole = 1; atp.is_Dipole=1;}
76 <        void setQuadrupole() { atp.is_Quadrupole = 1; }
77 <        void setGayBerne() { atp.is_GayBerne = 1; }
78 <        void setSticky() { atp.is_Sticky = 1; }
79 <        void setShape() { atp.is_Shape = 1;}
74 >    void setDipole() { atp.is_Dipole = 1; }
75 >    void setSplitDipole() { atp.is_SplitDipole = 1; atp.is_Dipole=1;}
76 >    void setQuadrupole() { atp.is_Quadrupole = 1; }
77 >    void setGayBerne() { atp.is_GayBerne = 1; }
78 >    void setSticky() { atp.is_Sticky = 1; }
79 >    void setShape() { atp.is_Shape = 1;}
80  
81 <        virtual void complete();
81 >    virtual void complete();
82  
83 <    private:
83 >  private:
84  
85 <        Mat3x3d I;
86 <        RotMat3x3d electroBodyFrame_;
87 < };
85 >    Mat3x3d I;
86 >    RotMat3x3d electroBodyFrame_;
87 >  };
88  
89  
90 < struct StickyParam {
91 < double w0;
92 < double v0;
93 < double v0p;
94 < double rl;
95 < double ru;
96 < double rlp;
97 < double rup;
98 < };
90 >  struct StickyParam {
91 >    double w0;
92 >    double v0;
93 >    double v0p;
94 >    double rl;
95 >    double ru;
96 >    double rlp;
97 >    double rup;
98 >  };
99  
100 < typedef SimpleTypeData<StickyParam> StickyParamGenericData;
100 >  typedef SimpleTypeData<StickyParam> StickyParamGenericData;
101  
102 < typedef SimpleTypeData<Vector3d> Vector3dGenericData;
102 >  typedef SimpleTypeData<Vector3d> Vector3dGenericData;
103    
104   }
105   #endif

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