PDBmolecule.hh

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//
// ********************************************************************
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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 MOLECULE_H
#define MOLECULE_H

#include "PDBresidue.hh"

class Residue;


class Molecule
{
public:
  Molecule();
  Molecule(const std::string& resName,int mNum);
  ~Molecule() {};

  //void PrintInfo();
  Molecule *GetNext();
  Residue *GetFirst();
  int GetID();
  void SetNext(Molecule *);
  void SetFirst(Residue *);

  std::string fMolName;   
  int fMolNum;       

  double fMinGlobZ;   //Cylinder length => min Z
  double fMaxGlobZ;
  double fMinGlobX;   //Radius => min X
  double fMaxGlobX;
  double fMinGlobY;   //=> min Y
  double fMaxGlobY;

  int fCenterX;      
  int fCenterY;      
  int fCenterZ;
  int fDistCenterMax;
  int fNbResidue;        

private:
  Molecule *fpNext;
  Residue *fpFirst;
};
#endif

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