G4DNASmoluchowskiReactionModel.hh

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// 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 
 
#pragma once
 
#include "G4VDNAReactionModel.hh"
#include <vector>
 
class G4DNAMolecularReactionData;
 
/**
  * G4DNASmoluchowskiReactionModel should be used
  * for very fast reactions (high reaction rate) : the reactions between
  * reactants occuring at encounter.
  * When the time step is constrained this model
  * uses brownian bridge : "Absorbing (Smoluchowski) boundary condition"
  * Reference : On the simulation of diffusion processes close to boundaries,
  * N. J. B. Green, Molecular Physics, 65: 6, 1399 — 1408(1988)
  */
 
class G4DNASmoluchowskiReactionModel : public G4VDNAReactionModel
{
public :
    G4DNASmoluchowskiReactionModel();
    ~G4DNASmoluchowskiReactionModel() override;
 
    G4DNASmoluchowskiReactionModel(const G4DNASmoluchowskiReactionModel&) = delete;
    G4DNASmoluchowskiReactionModel& operator=(const G4DNASmoluchowskiReactionModel&) = delete;
 
    void Initialise(const G4MolecularConfiguration*, const G4Track&) override ;
    void InitialiseToPrint(const G4MolecularConfiguration*) override ;
    G4double GetReactionRadius(const G4MolecularConfiguration*,
                                       const G4MolecularConfiguration*) override;
    G4double GetReactionRadius(const G4int&) override;
 
    G4bool FindReaction(const G4Track&,
                                const G4Track&,
                                G4double /*reactionRadius*/,
                                G4double& /*separationDistance*/,
                                G4bool /*alongStepInteraction*/) override ;
 
private :
    const std::vector<const G4DNAMolecularReactionData*>* fpReactionData{nullptr} ;
};