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/// \file PDBatom.cc
/// \brief Implementation of the PDBatom 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 "PDBatom.hh"

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Atom::Atom(int s, const std::string& n, const std::string& rN, int numInRes, int rS, double xInit,
           double yInit, double zInit, double radius, double o, double tF, const std::string& e)
{
  fSerial = s;
  fName = n;  //!< Atom name
  fResName = rN;  //!< Residue name
  fNumInRes = numInRes;
  fResSeq = rS;  //!< Residue sequence number
  fX = xInit;
  fY = yInit;
  fZ = zInit;
  fVdwRadius = radius;
  fOccupancy = o;  //!< occupancy
  fTempFactor = tF;
  fElement = e;
  fpNext = 0;
}

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

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double Atom::GetX()
{
  return fX;
}

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double Atom::GetY()
{
  return fY;
}

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

double Atom::GetZ()
{
  return fZ;
}

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

int Atom::GetID()
{
  return fSerial;
}

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

const std::string& Atom::GetName()
{
  return fName;
}

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const std::string& Atom::GetElementName()
{
  return fElement;
}

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

double Atom::GetVanDerWaalsRadius()
{
  return fVdwRadius;
}

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

void Atom::SetNext(Atom* AtomNext)
{
  fpNext = AtomNext;
}
