include/Geant4/G4DNASmoluchowskiReactionModel.hh

0001 //
0002 // ********************************************************************
0003 // * License and Disclaimer                                           *
0004 // *                                                                  *
0005 // * The  Geant4 software  is  copyright of the Copyright Holders  of *
0006 // * the Geant4 Collaboration.  It is provided  under  the terms  and *
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0008 // * LICENSE and available at  http://cern.ch/geant4/license .  These *
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0015 // * use.  Please see the license in the file  LICENSE  and URL above *
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0017 // *                                                                  *
0018 // * This  code  implementation is the result of  the  scientific and *
0019 // * technical work of the GEANT4 collaboration.                      *
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0024 // ********************************************************************
0025 //
0026 //
0027 // Author: Mathieu Karamitros
0028
0029 // The code is developed in the framework of the ESA AO7146
0030 //
0031 // We would be very happy hearing from you, send us your feedback! :)
0032 //
0033 // In order for Geant4-DNA to be maintained and still open-source,
0034 // article citations are crucial.
0035 // If you use Geant4-DNA chemistry and you publish papers about your software,
0036 // in addition to the general paper on Geant4-DNA:
0037 //
0038 // Int. J. Model. Simul. Sci. Comput. 1 (2010) 157–178
0039 //
0040 // we would be very happy if you could please also cite the following
0041 // reference papers on chemistry:
0042 //
0043 // J. Comput. Phys. 274 (2014) 841-882
0044 // Prog. Nucl. Sci. Tec. 2 (2011) 503-508
0045
0046 #pragma once
0047
0048 #include "G4VDNAReactionModel.hh"
0049 #include <vector>
0050
0051 class G4DNAMolecularReactionData;
0052
0053 /**
0054   * G4DNASmoluchowskiReactionModel should be used
0055   * for very fast reactions (high reaction rate) : the reactions between
0056   * reactants occuring at encounter.
0057   * When the time step is constrained this model
0058   * uses brownian bridge : "Absorbing (Smoluchowski) boundary condition"
0059   * Reference : On the simulation of diffusion processes close to boundaries,
0060   * N. J. B. Green, Molecular Physics, 65: 6, 1399 — 1408(1988)
0061   */
0062
0063 class G4DNASmoluchowskiReactionModel : public G4VDNAReactionModel
0064 {
0065 public :
0066     G4DNASmoluchowskiReactionModel();
0067     ~G4DNASmoluchowskiReactionModel() override;
0068
0069     G4DNASmoluchowskiReactionModel(const G4DNASmoluchowskiReactionModel&) = delete;
0070     G4DNASmoluchowskiReactionModel& operator=(const G4DNASmoluchowskiReactionModel&) = delete;
0071
0072     void Initialise(const G4MolecularConfiguration*, const G4Track&) override ;
0073     void InitialiseToPrint(const G4MolecularConfiguration*) override ;
0074     G4double GetReactionRadius(const G4MolecularConfiguration*,
0075                                        const G4MolecularConfiguration*) override;
0076     G4double GetReactionRadius(const G4int&) override;
0077
0078     G4bool FindReaction(const G4Track&,
0079                                 const G4Track&,
0080                                 G4double /*reactionRadius*/,
0081                                 G4double& /*separationDistance*/,
0082                                 G4bool /*alongStepInteraction*/) override ;
0083
0084 private :
0085     const std::vector<const G4DNAMolecularReactionData*>* fpReactionData{nullptr} ;
0086 };