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26 // This example is provided by the Geant4-DNA
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28 // shall cite the following Geant4-DNA collabo
29 // Med. Phys. 37 (2010) 4692-4708
30 // Delage et al. PDB4DNA: implementation of DN
31 // Bank (PDB) description for
32 // simulations (submitted to
33 // The Geant4-DNA web site is available at htt
34 //
35 // -------------------------------------------
36 // Authors: E. Delage
37 // november 2013
38 // -------------------------------------------
39 //
40 //
41 /// \file PDBbarycenter.hh
42 /// \brief Definition of the Barycenter class
43
44 //....oooOO0OOooo........oooOO0OOooo........oo
45
46 #ifndef BARY_H
47 # define BARY_H
48
49 //! Molecule Class
50 /*!
51 * This Class define Molecule model ...
52 */
53 class Barycenter
54 {
55 public:
56 //! First constructor
57 Barycenter();
58 //! Second constructor
59 Barycenter(int bNum, double x, double y, d
60 double Bx, double By, double Bz
61 double Sx, double Sy, double Sz
62 double Px, double Py, double Pz
63 //! Destructor
64 ~Barycenter() {};
65
66 //! Get the next Barycenter
67 Barycenter* GetNext();
68 //! Get the first
69 // Residue *GetFirst();
70 //! Get number Barycenter
71 int GetID();
72 //! Set the next Barycenter
73 void SetNext(Barycenter*);
74 //! Set the distance between atom i and nu
75 void SetDistance(int i, double);
76 //! Get the distance between atom i and nu
77 double GetDistance(int i);
78 //! Set the distance between the farther a
79 void SetRadius(double);
80 //! Get the distance between the farther a
81 double GetRadius();
82
83 int fBaryNum; //!< Barycenter number
84 double fDistanceTab[33]; //!< distance ta
85 double fRadius;
86
87 double fCenterX; //!< "X coordinate" of t
88 double fCenterY; //!< "Y coordinate" of t
89 double fCenterZ; //!< "Z coordinate" of t
90
91 double fCenterBaseX; //!< "X coordinate"
92 double fCenterBaseY; //!< "Y coordinate"
93 double fCenterBaseZ; //!< "Z coordinate"
94
95 double fCenterSugarX; //!< "X coordinate"
96 double fCenterSugarY; //!< "Y coordinate"
97 double fCenterSugarZ; //!< "Z coordinate"
98
99 double fCenterPhosphateX; //!< "X coordin
100 double fCenterPhosphateY; //!< "Y coordin
101 double fCenterPhosphateZ; //!< "Z coordin
102
103 private:
104 Barycenter* fpNext; //!< Header of the ne
105 };
106 #endif
107
108 //....oooOO0OOooo........oooOO0OOooo........oo
109