PDBatom.hh

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//
// 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
//
// --------------------------------------------------------------
// Authors: E. Delage
// november 2013
// --------------------------------------------------------------
//
// $Id$
//

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#ifndef ATOM_H
#define ATOM_H

#include <iostream>
using namespace std;


class Atom
{
public:
  Atom(int serial,string name,string resName,int numInRes,int resSeq,
      double xInit,double yInit,double zInit,
      double radius,
      double occupancy, double tempFactor, string element);
  ~Atom()
  {
  };

  Atom *GetNext();
  double GetX();
  double GetY();
  double GetZ();
  int GetID();
  string GetName();
  string GetElementName();
  double GetVanDerWaalsRadius();
  void SetNext(Atom *);

  int fSerial;       
  int fNumInRes;     
  string fName;      
  string fResName;   
  int fResSeq;       
  double fX;          
  double fY;          
  double fZ;          
  double fVdwRadius;  // Vand der Waals Radius in Angstrom
  double fOccupancy;  
  string fElement;   
  double fTempFactor; 

private:
  Atom * fpNext;       
};
#endif

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