| Geant4 Cross Reference |
1 //
2 // ********************************************************************
3 // * License and Disclaimer *
4 // * *
5 // * The Geant4 software is copyright of the Copyright Holders of *
6 // * the Geant4 Collaboration. It is provided under the terms and *
7 // * conditions of the Geant4 Software License, included in the file *
8 // * LICENSE and available at http://cern.ch/geant4/license . These *
9 // * include a list of copyright holders. *
10 // * *
11 // * Neither the authors of this software system, nor their employing *
12 // * institutes,nor the agencies providing financial support for this *
13 // * work make any representation or warranty, express or implied, *
14 // * regarding this software system or assume any liability for its *
15 // * use. Please see the license in the file LICENSE and URL above *
16 // * for the full disclaimer and the limitation of liability. *
17 // * *
18 // * This code implementation is the result of the scientific and *
19 // * technical work of the GEANT4 collaboration. *
20 // * By using, copying, modifying or distributing the software (or *
21 // * any work based on the software) you agree to acknowledge its *
22 // * use in resulting scientific publications, and indicate your *
23 // * acceptance of all terms of the Geant4 Software license. *
24 // ********************************************************************
25 //
26 //
27 // Author: Mathieu Karamitros
28
29 // The code is developed in the framework of the ESA AO7146
30 //
31 // We would be very happy hearing from you, send us your feedback! :)
32 //
33 // In order for Geant4-DNA to be maintained and still open-source,
34 // article citations are crucial.
35 // If you use Geant4-DNA chemistry and you publish papers about your software,
36 // in addition to the general paper on Geant4-DNA:
37 //
38 // Int. J. Model. Simul. Sci. Comput. 1 (2010) 157–178
39 //
40 // we would be very happy if you could please also cite the following
41 // reference papers on chemistry:
42 //
43 // J. Comput. Phys. 274 (2014) 841-882
44 // Prog. Nucl. Sci. Tec. 2 (2011) 503-508
45
46 #pragma once
47
48 #include "G4VITTimeStepComputer.hh"
49 #include "G4KDTreeResult.hh"
50 #include "G4ITTrackHolder.hh"
51 #include "G4ITReaction.hh"
52
53 class G4VDNAReactionModel;
54 class G4DNAMolecularReactionTable;
55 class G4MolecularConfiguration;
56
57 class G4Molecule;
58
59 /**
60 * Given a molecule G4DNAMoleculeEncounterStepper will calculate for its possible reactants
61 * what will be the minimum encounter time and the associated molecules.*
62 *
63 * This model includes dynamical time steps as explained in
64 * "Computer-Aided Stochastic Modeling of the Radiolysis of Liquid Water",
65 * V. Michalik, M. Begusová, E. A. Bigildeev,
66 * Radiation Research, Vol. 149, No. 3 (Mar., 1998), pp. 224-236
67 *
68 */
69
70 class G4DNAMoleculeEncounterStepper : public G4VITTimeStepComputer
71 {
72 public:
73 G4DNAMoleculeEncounterStepper();
74 ~G4DNAMoleculeEncounterStepper() override;
75 G4DNAMoleculeEncounterStepper(const G4DNAMoleculeEncounterStepper&) = delete;
76 G4DNAMoleculeEncounterStepper& operator=(const G4DNAMoleculeEncounterStepper&) = delete;
77
78 void Prepare() override;
79 G4double CalculateStep(const G4Track&, const G4double&) override;
80 G4double CalculateMinTimeStep(G4double, G4double) override;
81
82 void SetReactionModel(G4VDNAReactionModel*);
83 G4VDNAReactionModel* GetReactionModel();
84
85 void SetVerbose(int);
86 // Final time returned when reaction is available in the reaction table = 1
87 // All details = 2
88
89 private:
90 void InitializeForNewTrack();
91
92 class Utils;
93 void CheckAndRecordResults(const Utils&,
94 #ifdef G4VERBOSE
95 const G4double reactionRange,
96 #endif
97 G4KDTreeResultHandle&);
98
99 G4bool fHasAlreadyReachedNullTime{false};
100 const G4DNAMolecularReactionTable*& fMolecularReactionTable;
101 G4VDNAReactionModel* fReactionModel{nullptr};
102 G4ITTrackHolder* fpTrackContainer;
103 G4ITReactionSet* fReactionSet;
104 G4int fVerbose{0};
105
106 class Utils
107 {
108 public:
109 Utils(const G4Track& tA, const G4MolecularConfiguration* mB);
110 ~Utils() = default;
111
112 G4double GetConstant() const
113 {
114 return fConstant;
115 }
116
117 const G4Track& fpTrackA;
118 const G4MolecularConfiguration* fpMoleculeB;
119 const G4Molecule* fpMoleculeA;
120 G4double fDA;
121 G4double fDB;
122 G4double fConstant;
123 };
124 };
125