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