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1 //
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25 //
26 // This example is provided by the Geant4-DNA collaboration
27 // Any report or published results obtained using the Geant4-DNA software
28 // shall cite the following Geant4-DNA collaboration publication:
29 // Med. Phys. 37 (2010) 4692-4708
30 // Delage et al. PDB4DNA: implementation of DNA geometry from the Protein Data
31 // Bank (PDB) description for Geant4-DNA Monte-Carlo
32 // simulations (submitted to Comput. Phys. Commun.)
33 // The Geant4-DNA web site is available at http://geant4-dna.org
34 //
35 //
36 /// \file PDBbarycenter.cc
37 /// \brief Implementation of the PDBbarycenter class
38
39 #include "PDBbarycenter.hh"
40
41 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
42
43 Barycenter::Barycenter()
44 : fBaryNum(0),
45 fRadius(0),
46 fCenterX(0),
47 fCenterY(0),
48 fCenterZ(0),
49 fCenterBaseX(0),
50 fCenterBaseY(0),
51 fCenterBaseZ(0),
52 fCenterSugarX(0),
53 fCenterSugarY(0),
54 fCenterSugarZ(0),
55 fCenterPhosphateX(0),
56 fCenterPhosphateY(0),
57 fCenterPhosphateZ(0),
58 fpNext(0)
59 {
60 for (int i = 0; i < 33; ++i) {
61 fDistanceTab[i] = 0.; // initialization
62 }
63 }
64
65 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
66
67 Barycenter::Barycenter(int bNum, double x, double y, double z, double Bx, double By,
68 double Bz, // Base barycenter coordinates
69 double Sx, double Sy, double Sz, // Sugar barycenter coordinates
70 double Px, double Py, double Pz) // Phosphate barycenter coordinates
71 {
72 fBaryNum = bNum; //!< Barycenter number
73 fRadius = 0;
74 fCenterX = x;
75 fCenterY = y;
76 fCenterZ = z;
77 for (int i = 0; i < 33; ++i) {
78 fDistanceTab[i] = 0.; // initialization
79 }
80 fCenterBaseX = Bx; //!< "X coordinate" of this Base Barycenter
81 fCenterBaseY = By; //!< "Y coordinate" of this Base Barycenter
82 fCenterBaseZ = Bz; //!< "Z coordinate" of this Base Barycenter
83 fCenterSugarX = Sx; //!< "X coordinate" of this Sugar Barycenter
84 fCenterSugarY = Sy; //!< "Y coordinate" of this Sugar Barycenter
85 fCenterSugarZ = Sz; //!< "Z coordinate" of this Sugar Barycenter
86 fCenterPhosphateX = Px; //!< "X coordinate" of this Phosphate Barycenter
87 fCenterPhosphateY = Py; //!< "Y coordinate" of this Phosphate Barycenter
88 fCenterPhosphateZ = Pz; //!< "Z coordinate" of this Phosphate Barycenter
89 fpNext = 0;
90 }
91
92 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
93
94 Barycenter* Barycenter::GetNext()
95 {
96 return fpNext;
97 }
98
99 int Barycenter::GetID()
100 {
101 return fBaryNum;
102 }
103
104 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
105
106 void Barycenter::SetNext(Barycenter* barycenterNext)
107 {
108 fpNext = barycenterNext;
109 }
110
111 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
112
113 void Barycenter::SetDistance(int i, double dist)
114 {
115 fDistanceTab[i] = dist;
116 }
117
118 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
119
120 double Barycenter::GetDistance(int i)
121 {
122 return fDistanceTab[i];
123 }
124
125 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
126
127 void Barycenter::SetRadius(double rds)
128 {
129 fRadius = rds;
130 }
131
132 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
133
134 double Barycenter::GetRadius()
135 {
136 return fRadius;
137 }
138