pdb4dna/src/PDBresidue.cc

0001 //
0002 // ********************************************************************
0003 // * License and Disclaimer                                           *
0004 // *                                                                  *
0005 // * The  Geant4 software  is  copyright of the Copyright Holders  of *
0006 // * the Geant4 Collaboration.  It is provided  under  the terms  and *
0007 // * conditions of the Geant4 Software License,  included in the file *
0008 // * LICENSE and available at  http://cern.ch/geant4/license .  These *
0009 // * include a list of copyright holders.                             *
0010 // *                                                                  *
0011 // * Neither the authors of this software system, nor their employing *
0012 // * institutes,nor the agencies providing financial support for this *
0013 // * work  make  any representation or  warranty, express or implied, *
0014 // * regarding  this  software system or assume any liability for its *
0015 // * use.  Please see the license in the file  LICENSE  and URL above *
0016 // * for the full disclaimer and the limitation of liability.         *
0017 // *                                                                  *
0018 // * This  code  implementation is the result of  the  scientific and *
0019 // * technical work of the GEANT4 collaboration.                      *
0020 // * By using,  copying,  modifying or  distributing the software (or *
0021 // * any work based  on the software)  you  agree  to acknowledge its *
0022 // * use  in  resulting  scientific  publications,  and indicate your *
0023 // * acceptance of all terms of the Geant4 Software license.          *
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 PDBresidue.cc
0037 /// \brief Implementation of the PDBresidue class
0038
0039 #include "PDBresidue.hh"
0040
0041 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0042
0043 Residue::Residue()
0044   : fResName(""),
0045     fResSeq(0),
0046     fVisible(false),
0047     fSelected(false),
0048     fCenterX(0),
0049     fCenterY(0),
0050     fCenterZ(0),
0051     fNbAtom(0),
0052     fpNext(0),
0053     fpFirst(0)
0054 {}
0055
0056 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0057
0058 Residue::Residue(const std::string& rN, int rS)
0059 {
0060   fResName = rN;  // Residue name
0061   fResSeq = rS;  // Residue sequence number
0062   fVisible = false;
0063   fSelected = false;
0064   fCenterX = 0;
0065   fCenterY = 0;
0066   fCenterZ = 0;
0067   fNbAtom = 0;
0068   fpNext = 0;
0069   fpFirst = 0;
0070 }
0071
0072 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0073
0074 Residue* Residue::GetNext()
0075 {
0076   return fpNext;
0077 }
0078
0079 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0080
0081 Atom* Residue::GetFirst()
0082 {
0083   return fpFirst;
0084 }
0085
0086 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0087
0088 int Residue::GetID()
0089 {
0090   return fResSeq;
0091 }
0092
0093 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0094
0095 void Residue::SetNext(Residue* residueNext)
0096 {
0097   fpNext = residueNext;
0098 }
0099
0100 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
0101
0102 void Residue::SetFirst(Atom* atomFirst)
0103 {
0104   fpFirst = atomFirst;
0105 }