pdb4dna/src/PDBbarycenter.cc

0001 //
0002 // ********************************************************************
0003 // * License and Disclaimer                                           *
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0024 // ********************************************************************
0025 //
0026 // This example is provided by the Geant4-DNA collaboration
0027 // Any report or published results obtained using the Geant4-DNA software
0028 // shall cite the following Geant4-DNA collaboration publication:
0029 // Med. Phys. 37 (2010) 4692-4708
0030 // Delage et al. PDB4DNA: implementation of DNA geometry from the Protein Data
0031 //                  Bank (PDB) description for Geant4-DNA Monte-Carlo
0032 //                  simulations (submitted to Comput. Phys. Commun.)
0033 // The Geant4-DNA web site is available at http://geant4-dna.org
0034 //
0035 //
0036 /// \file PDBbarycenter.cc
0037 /// \brief Implementation of the PDBbarycenter class
0038
0039 #include "PDBbarycenter.hh"
0040
0041 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0042
0043 Barycenter::Barycenter()
0044   : fBaryNum(0),
0045     fRadius(0),
0046     fCenterX(0),
0047     fCenterY(0),
0048     fCenterZ(0),
0049     fCenterBaseX(0),
0050     fCenterBaseY(0),
0051     fCenterBaseZ(0),
0052     fCenterSugarX(0),
0053     fCenterSugarY(0),
0054     fCenterSugarZ(0),
0055     fCenterPhosphateX(0),
0056     fCenterPhosphateY(0),
0057     fCenterPhosphateZ(0),
0058     fpNext(0)
0059 {
0060   for (int i = 0; i < 33; ++i) {
0061     fDistanceTab[i] = 0.;  // initialization
0062   }
0063 }
0064
0065 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0066
0067 Barycenter::Barycenter(int bNum, double x, double y, double z, double Bx, double By,
0068                        double Bz,  // Base barycenter coordinates
0069                        double Sx, double Sy, double Sz,  // Sugar barycenter coordinates
0070                        double Px, double Py, double Pz)  // Phosphate barycenter coordinates
0071 {
0072   fBaryNum = bNum;  //!< Barycenter number
0073   fRadius = 0;
0074   fCenterX = x;
0075   fCenterY = y;
0076   fCenterZ = z;
0077   for (int i = 0; i < 33; ++i) {
0078     fDistanceTab[i] = 0.;  // initialization
0079   }
0080   fCenterBaseX = Bx;  //!< "X coordinate" of this Base Barycenter
0081   fCenterBaseY = By;  //!< "Y coordinate" of this Base Barycenter
0082   fCenterBaseZ = Bz;  //!< "Z coordinate" of this Base Barycenter
0083   fCenterSugarX = Sx;  //!< "X coordinate" of this Sugar Barycenter
0084   fCenterSugarY = Sy;  //!< "Y coordinate" of this Sugar Barycenter
0085   fCenterSugarZ = Sz;  //!< "Z coordinate" of this Sugar Barycenter
0086   fCenterPhosphateX = Px;  //!< "X coordinate" of this Phosphate Barycenter
0087   fCenterPhosphateY = Py;  //!< "Y coordinate" of this Phosphate Barycenter
0088   fCenterPhosphateZ = Pz;  //!< "Z coordinate" of this Phosphate Barycenter
0089   fpNext = 0;
0090 }
0091
0092 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0093
0094 Barycenter* Barycenter::GetNext()
0095 {
0096   return fpNext;
0097 }
0098
0099 int Barycenter::GetID()
0100 {
0101   return fBaryNum;
0102 }
0103
0104 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0105
0106 void Barycenter::SetNext(Barycenter* barycenterNext)
0107 {
0108   fpNext = barycenterNext;
0109 }
0110
0111 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0112
0113 void Barycenter::SetDistance(int i, double dist)
0114 {
0115   fDistanceTab[i] = dist;
0116 }
0117
0118 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0119
0120 double Barycenter::GetDistance(int i)
0121 {
0122   return fDistanceTab[i];
0123 }
0124
0125 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0126
0127 void Barycenter::SetRadius(double rds)
0128 {
0129   fRadius = rds;
0130 }
0131
0132 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0133
0134 double Barycenter::GetRadius()
0135 {
0136   return fRadius;
0137 }