G4DNAMoleculeEncounterStepper.hh

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// $Id: G4DNAMoleculeEncounterStepper.hh 100802 2016-11-02 14:55:27Z gcosmo $
//
// Author: Mathieu Karamitros

// The code is developed in the framework of the ESA AO7146
//
// We would be very happy hearing from you, send us your feedback! :)
//
// In order for Geant4-DNA to be maintained and still open-source,
// article citations are crucial. 
// If you use Geant4-DNA chemistry and you publish papers about your software, 
// in addition to the general paper on Geant4-DNA:
//
// Int. J. Model. Simul. Sci. Comput. 1 (2010) 157–178
//
// we would be very happy if you could please also cite the following
// reference papers on chemistry:
//
// J. Comput. Phys. 274 (2014) 841-882
// Prog. Nucl. Sci. Tec. 2 (2011) 503-508 

#ifndef G4MOLECULEENCOUNTERSTEPPER_H
#define G4MOLECULEENCOUNTERSTEPPER_H

#include "G4VITTimeStepComputer.hh"
#include "G4KDTreeResult.hh"

class G4VDNAReactionModel;
class G4DNAMolecularReactionTable;
class G4MolecularConfiguration;

class G4Molecule;

class G4DNAMoleculeEncounterStepper : public G4VITTimeStepComputer
{
public:
  G4DNAMoleculeEncounterStepper();
  virtual ~G4DNAMoleculeEncounterStepper();
  G4DNAMoleculeEncounterStepper(const G4DNAMoleculeEncounterStepper&);
  G4IT_ADD_CLONE(G4VITTimeStepComputer,G4DNAMoleculeEncounterStepper)

  virtual void Prepare();
  //    virtual void PrepareForAllProcessors();
  virtual G4double CalculateStep(const G4Track&, const G4double&);

  inline void SetReactionModel(G4VDNAReactionModel*);
  inline G4VDNAReactionModel* GetReactionModel();

  inline void SetVerbose(int);
  // Final time returned when reaction is avalaible in the reaction table = 1
  // All details = 2

private:
  void InitializeForNewTrack();

  class Utils;
  void CheckAndRecordResults(const Utils&,
#ifdef G4VERBOSE
                             const G4double reactionRange,
#endif
                             G4KDTreeResultHandle&);

  G4bool fHasAlreadyReachedNullTime;

  G4DNAMoleculeEncounterStepper& operator=(const G4DNAMoleculeEncounterStepper&);
  const G4DNAMolecularReactionTable*& fMolecularReactionTable;
  G4VDNAReactionModel* fReactionModel;
  G4int fVerbose;

  class Utils
  {
  public:
    Utils(const G4Track& tA, G4MolecularConfiguration* mB);
    ~Utils(){;}

    G4double GetConstant() const
    {
      return Constant;
    }

    const G4Track& trackA;
    G4MolecularConfiguration* moleculeB;
    const G4Molecule* moleculeA;
    G4double DA;
    G4double DB;
    G4double Constant;
  };

};

inline void G4DNAMoleculeEncounterStepper::SetReactionModel(G4VDNAReactionModel* reactionModel)
{
  fReactionModel = reactionModel;
}

inline G4VDNAReactionModel* G4DNAMoleculeEncounterStepper::GetReactionModel()
{
  return fReactionModel;
}

inline void G4DNAMoleculeEncounterStepper::SetVerbose(int flag)
{
  fVerbose = flag;
}

#endif // G4MOLECULEENCOUNTERSTEPPER_H