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/// \file PDBmolecule.cc
/// \brief Implementation of the PDBmolecule class

// This example is provided by the Geant4-DNA collaboration
// Any report or published results obtained using the Geant4-DNA software
// shall cite the following Geant4-DNA collaboration publication:
// Med. Phys. 37 (2010) 4692-4708
// Delage et al. PDB4DNA: implementation of DNA geometry from the Protein Data
//                  Bank (PDB) description for Geant4-DNA Monte-Carlo
//                  simulations (submitted to Comput. Phys. Commun.)
// The Geant4-DNA web site is available at http://geant4-dna.org
//
//

#include "PDBmolecule.hh"

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

Molecule::Molecule()
  : fMolName(""),
    fMolNum(0),
    fMinGlobZ(0),
    fMaxGlobZ(0),
    fMinGlobX(0),
    fMaxGlobX(0),
    fMinGlobY(0),
    fMaxGlobY(0),
    fCenterX(0),
    fCenterY(0),
    fCenterZ(0),
    fDistCenterMax(0),
    fNbResidue(0),
    fpNext(0),
    fpFirst(0)
{}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

Molecule::Molecule(const std::string& mN, int mNum)
{
  fMolName = mN;  // Molecule name
  fMolNum = mNum;  // Molecule number
  fMinGlobZ = 0;
  fMaxGlobZ = 0;
  fMinGlobX = 0;
  fMaxGlobX = 0;
  fMinGlobY = 0;
  fMaxGlobY = 0;
  fCenterX = 0;
  fCenterY = 0;
  fCenterZ = 0;
  fDistCenterMax = 0;
  fNbResidue = 0;
  fpNext = 0;
  fpFirst = 0;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

Molecule* Molecule::GetNext()
{
  return fpNext;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

Residue* Molecule::GetFirst()
{
  return fpFirst;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

int Molecule::GetID()
{
  return fMolNum;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

void Molecule::SetNext(Molecule* moleculeNext)
{
  fpNext = moleculeNext;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......

void Molecule::SetFirst(Residue* resFirst)
{
  fpFirst = resFirst;
}
