pdb4dna/src/PDBmolecule.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 PDBmolecule.cc
0037 /// \brief Implementation file for PDBmolecule class
0038
0039 #include "PDBmolecule.hh"
0040
0041 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0042
0043 Molecule::Molecule()
0044   : fMolName(""),
0045     fMolNum(0),
0046     fMinGlobZ(0),
0047     fMaxGlobZ(0),
0048     fMinGlobX(0),
0049     fMaxGlobX(0),
0050     fMinGlobY(0),
0051     fMaxGlobY(0),
0052     fCenterX(0),
0053     fCenterY(0),
0054     fCenterZ(0),
0055     fDistCenterMax(0),
0056     fNbResidue(0),
0057     fpNext(0),
0058     fpFirst(0)
0059 {}
0060
0061 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0062
0063 Molecule::Molecule(const std::string& mN, int mNum)
0064 {
0065   fMolName = mN;  // Molecule name
0066   fMolNum = mNum;  // Molecule number
0067   fMinGlobZ = 0;
0068   fMaxGlobZ = 0;
0069   fMinGlobX = 0;
0070   fMaxGlobX = 0;
0071   fMinGlobY = 0;
0072   fMaxGlobY = 0;
0073   fCenterX = 0;
0074   fCenterY = 0;
0075   fCenterZ = 0;
0076   fDistCenterMax = 0;
0077   fNbResidue = 0;
0078   fpNext = 0;
0079   fpFirst = 0;
0080 }
0081
0082 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0083
0084 Molecule* Molecule::GetNext()
0085 {
0086   return fpNext;
0087 }
0088
0089 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0090
0091 Residue* Molecule::GetFirst()
0092 {
0093   return fpFirst;
0094 }
0095
0096 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0097
0098 int Molecule::GetID()
0099 {
0100   return fMolNum;
0101 }
0102
0103 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0104
0105 void Molecule::SetNext(Molecule* moleculeNext)
0106 {
0107   fpNext = moleculeNext;
0108 }
0109
0110 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0111
0112 void Molecule::SetFirst(Residue* resFirst)
0113 {
0114   fpFirst = resFirst;
0115 }