Geant4  10.01.p01
PDBbarycenter.cc
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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.)
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39 
40 #include "PDBbarycenter.hh"
41 
42 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
43 
44 Barycenter::Barycenter():fBaryNum(0),fRadius(0),
45 fCenterX(0),fCenterY(0),fCenterZ(0),
46 fCenterBaseX(0),fCenterBaseY(0),fCenterBaseZ(0),
47 fCenterSugarX(0),fCenterSugarY(0),fCenterSugarZ(0),
48 fCenterPhosphateX(0),fCenterPhosphateY(0),fCenterPhosphateZ(0),
49 fpNext(0)
50 {
51  for ( int i = 0; i < 33; ++i )
52  {
53  fDistanceTab[i] = 0.; //initialization
54  }
55 }
56 
57 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
58 
59 Barycenter::Barycenter(int bNum,double x,double y,double z,
60  double Bx,double By, double Bz, //Base barycenter coordinates
61  double Sx,double Sy, double Sz, //Sugar barycenter coordinates
62  double Px,double Py, double Pz)//Phosphate barycenter coordinates
63 {
64  fBaryNum=bNum;
65  fRadius=0;
66  fCenterX=x;
67  fCenterY=y;
68  fCenterZ=z;
69  for ( int i = 0; i < 33; ++i )
70  {
71  fDistanceTab[i] = 0.; //initialization
72  }
73  fCenterBaseX=Bx;
74  fCenterBaseY=By;
75  fCenterBaseZ=Bz;
76  fCenterSugarX=Sx;
77  fCenterSugarY=Sy;
78  fCenterSugarZ=Sz;
82  fpNext=0;
83 }
84 
85 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
86 
88 {
89  return fpNext;
90 }
91 
93 {
94  return fBaryNum;
95 }
96 
97 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
98 
99 void Barycenter::SetNext(Barycenter *barycenterNext)
100 {
101  fpNext=barycenterNext;
102 }
103 
104 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
105 
106 void Barycenter::SetDistance(int i, double dist)
107 {
108  fDistanceTab[i]=dist;
109 }
110 
111 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
112 
114 {
115  return fDistanceTab[i];
116 }
117 
118 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
119 
120 void Barycenter::SetRadius(double rds)
121 {
122  fRadius=rds;
123 }
124 
125 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
126 
128 {
129  return fRadius;
130 }
131 
double fCenterBaseX
"X coordinate" of this Base Barycenter
double fCenterPhosphateZ
"Z coordinate" of this Phosphate Barycenter
Molecule Class.
double fCenterPhosphateX
"X coordinate" of this Phosphate Barycenter
double fCenterPhosphateY
"Y coordinate" of this Phosphate Barycenter
double GetDistance(int i)
Get the distance between atom i and nucleotide barycenter.
void SetRadius(double)
Set the distance between the farther atom and nucleotide barycenter.
double fCenterY
"Y coordinate" of this nucelotide Barycenter
double fDistanceTab[33]
distance table [0..32] (11 hydrogens!)
double fCenterX
"X coordinate" of this nucelotide Barycenter
double fCenterSugarX
"X coordinate" of this Sugar Barycenter
G4double z
Definition: TRTMaterials.hh:39
int fBaryNum
Barycenter number.
double fCenterSugarY
"Y coordinate" of this Sugar Barycenter
void SetDistance(int i, double)
Set the distance between atom i and nucleotide barycenter.
double fCenterBaseZ
"Z coordinate" of this Base Barycenter
Definition of the Barycenter class.
void SetNext(Barycenter *)
Set the next Barycenter.
double fCenterSugarZ
"Z coordinate" of this Sugar Barycenter
double GetRadius()
Get the distance between the farther atom and nucleotide barycenter.
Barycenter * GetNext()
Get the next Barycenter.
double fRadius
double fCenterBaseY
"Y coordinate" of this Base Barycenter
Barycenter * fpNext
Header of the next Molecule (usage before vector)
Barycenter()
First constructor.
int GetID()
Get the first.
double fCenterZ
"Z coordinate" of this nucelotide Barycenter