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1 // 1 //
2 // ******************************************* 2 // ********************************************************************
3 // * License and Disclaimer 3 // * License and Disclaimer *
4 // * 4 // * *
5 // * The Geant4 software is copyright of th 5 // * The Geant4 software is copyright of the Copyright Holders of *
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13 // * work make any representation or warran 13 // * work make any representation or warranty, express or implied, *
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15 // * use. Please see the license in the file 15 // * use. Please see the license in the file LICENSE and URL above *
16 // * for the full disclaimer and the limitatio 16 // * for the full disclaimer and the limitation of liability. *
17 // * 17 // * *
18 // * This code implementation is the result 18 // * This code implementation is the result of the scientific and *
19 // * technical work of the GEANT4 collaboratio 19 // * technical work of the GEANT4 collaboration. *
20 // * By using, copying, modifying or distri 20 // * By using, copying, modifying or distributing the software (or *
21 // * any work based on the software) you ag 21 // * any work based on the software) you agree to acknowledge its *
22 // * use in resulting scientific publicati 22 // * use in resulting scientific publications, and indicate your *
23 // * acceptance of all terms of the Geant4 Sof 23 // * acceptance of all terms of the Geant4 Software license. *
24 // ******************************************* 24 // ********************************************************************
25 // 25 //
26 // 26 //
27 // Author: Mathieu Karamitros 27 // Author: Mathieu Karamitros
28 28
29 // The code is developed in the framework of t 29 // The code is developed in the framework of the ESA AO7146
30 // 30 //
31 // We would be very happy hearing from you, se 31 // We would be very happy hearing from you, send us your feedback! :)
32 // 32 //
33 // In order for Geant4-DNA to be maintained an 33 // In order for Geant4-DNA to be maintained and still open-source,
34 // article citations are crucial. 34 // article citations are crucial.
35 // If you use Geant4-DNA chemistry and you pub 35 // If you use Geant4-DNA chemistry and you publish papers about your software,
36 // in addition to the general paper on Geant4- 36 // in addition to the general paper on Geant4-DNA:
37 // 37 //
38 // Int. J. Model. Simul. Sci. Comput. 1 (2010) 38 // Int. J. Model. Simul. Sci. Comput. 1 (2010) 157–178
39 // 39 //
40 // we would be very happy if you could please 40 // we would be very happy if you could please also cite the following
41 // reference papers on chemistry: 41 // reference papers on chemistry:
42 // 42 //
43 // J. Comput. Phys. 274 (2014) 841-882 43 // J. Comput. Phys. 274 (2014) 841-882
44 // Prog. Nucl. Sci. Tec. 2 (2011) 503-508 44 // Prog. Nucl. Sci. Tec. 2 (2011) 503-508
45 45
46 #pragma once 46 #pragma once
47 47
48 #include "G4VDNAReactionModel.hh" 48 #include "G4VDNAReactionModel.hh"
49 #include <vector> 49 #include <vector>
50 50
51 class G4DNAMolecularReactionData; 51 class G4DNAMolecularReactionData;
52 52
53 /** 53 /**
54 * G4DNASmoluchowskiReactionModel should be u 54 * G4DNASmoluchowskiReactionModel should be used
55 * for very fast reactions (high reaction rat 55 * for very fast reactions (high reaction rate) : the reactions between
56 * reactants occuring at encounter. 56 * reactants occuring at encounter.
57 * When the time step is constrained this mod 57 * When the time step is constrained this model
58 * uses brownian bridge : "Absorbing (Smoluch 58 * uses brownian bridge : "Absorbing (Smoluchowski) boundary condition"
59 * Reference : On the simulation of diffusion 59 * Reference : On the simulation of diffusion processes close to boundaries,
60 * N. J. B. Green, Molecular Physics, 65: 6, 60 * N. J. B. Green, Molecular Physics, 65: 6, 1399 — 1408(1988)
61 */ 61 */
62 62
63 class G4DNASmoluchowskiReactionModel : public 63 class G4DNASmoluchowskiReactionModel : public G4VDNAReactionModel
64 { 64 {
65 public : 65 public :
66 G4DNASmoluchowskiReactionModel(); 66 G4DNASmoluchowskiReactionModel();
67 ~G4DNASmoluchowskiReactionModel() override << 67 virtual ~G4DNASmoluchowskiReactionModel();
68 68
69 G4DNASmoluchowskiReactionModel(const G4DNA 69 G4DNASmoluchowskiReactionModel(const G4DNASmoluchowskiReactionModel&) = delete;
70 G4DNASmoluchowskiReactionModel& operator=( 70 G4DNASmoluchowskiReactionModel& operator=(const G4DNASmoluchowskiReactionModel&) = delete;
71 71
72 void Initialise(const G4MolecularConfigura << 72 virtual void Initialise(const G4MolecularConfiguration*, const G4Track&) ;
73 void InitialiseToPrint(const G4MolecularCo << 73 virtual void InitialiseToPrint(const G4MolecularConfiguration*) ;
74 G4double GetReactionRadius(const G4Molecul << 74 virtual G4double GetReactionRadius(const G4MolecularConfiguration*,
75 const G << 75 const G4MolecularConfiguration*);
76 G4double GetReactionRadius(const G4int&) o << 76 virtual G4double GetReactionRadius(const G4int);
77 77
78 G4bool FindReaction(const G4Track&, << 78 virtual G4bool FindReaction(const G4Track&,
79 const G4Track& 79 const G4Track&,
80 G4double /*rea 80 G4double /*reactionRadius*/,
81 G4double& /*se 81 G4double& /*separationDistance*/,
82 G4bool /*along << 82 G4bool /*alongStepInteraction*/) ;
83 83
84 private : 84 private :
85 const std::vector<const G4DNAMolecularReac << 85 const std::vector<const G4DNAMolecularReactionData*>* fpReactionData ;
86 }; 86 };
87 87