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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 *
6 // * the Geant4 Collaboration. It is provided 6 // * the Geant4 Collaboration. It is provided under the terms and *
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8 // * LICENSE and available at http://cern.ch/ 8 // * LICENSE and available at http://cern.ch/geant4/license . These *
9 // * include a list of copyright holders. 9 // * include a list of copyright holders. *
10 // * 10 // * *
11 // * Neither the authors of this software syst 11 // * Neither the authors of this software system, nor their employing *
12 // * institutes,nor the agencies providing fin 12 // * institutes,nor the agencies providing financial support for this *
13 // * work make any representation or warran 13 // * work make any representation or warranty, express or implied, *
14 // * regarding this software system or assum 14 // * regarding this software system or assume any liability for its *
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 46
47 #pragma once << 47 #ifndef G4MOLECULARREACTION_H
>> 48 #define G4MOLECULARREACTION_H
48 49
49 #include <G4VITReactionProcess.hh> 50 #include <G4VITReactionProcess.hh>
50 #include <vector> <<
51 51
52 class G4DNAMolecularReactionTable; 52 class G4DNAMolecularReactionTable;
53 class G4VDNAReactionModel; 53 class G4VDNAReactionModel;
54 class G4ITReactionSet; <<
55 54
56 /** 55 /**
57 * G4DNAMolecularReaction is the reaction pro 56 * G4DNAMolecularReaction is the reaction process
58 * used in G4DNAMolecularStepByStepModel. << 57 * used in G4DNAMolecularStepByStepModel between
59 * It test whether molecules can react after << 58 * two molecules.
60 * If so, the reaction is made. << 59 * After the global track steps, it test whether
61 * \deprecated This class will be removed << 60 * the molecules can react. If so, the reaction is made.
62 */ 61 */
>> 62
63 class G4DNAMolecularReaction : public G4VITRea 63 class G4DNAMolecularReaction : public G4VITReactionProcess
64 { 64 {
65 public: << 65 public:
66 G4DNAMolecularReaction(); << 66 /** Default constructor */
67 explicit G4DNAMolecularReaction(G4VDNAReac << 67 G4DNAMolecularReaction();
68 ~G4DNAMolecularReaction() override = defau << 68 /** Default destructor */
69 G4DNAMolecularReaction(const G4DNAMolecula << 69 virtual ~G4DNAMolecularReaction();
70 G4DNAMolecularReaction& operator=(const G4 << 70 /** Copy constructor
71 << 71 * \param other Object to copy from
72 G4bool TestReactibility(const G4Track&, << 72 */
73 const G4Track&, << 73 G4DNAMolecularReaction(const G4DNAMolecularReaction& other);
74 double currentStep << 74 /** Assignment operator
75 bool userStepTimeL << 75 * \param other Object to assign from
76 << 76 * \return A reference to this
77 std::vector<std::unique_ptr<G4ITReactionCh << 77 */
78 const double, const double, const bool << 78 G4DNAMolecularReaction& operator=(const G4DNAMolecularReaction& other);
79 std::unique_ptr<G4ITReactionChange> MakeRe << 79
80 << 80 G4IT_ADD_CLONE(G4VITReactionProcess, G4DNAMolecularReaction)
81 void SetReactionModel(G4VDNAReactionModel* << 81
82 << 82 /** Given two tracks, it tells you whether they can react
83 protected: << 83 */
84 const G4DNAMolecularReactionTable*& fMolRe << 84 virtual G4bool TestReactibility(const G4Track&,
85 G4VDNAReactionModel* fpReactionModel; << 85 const G4Track&,
>> 86 const double currentStepTime,
>> 87 const double previousStepTime,
>> 88 bool userStepTimeLimit) /*const*/ ;
>> 89
>> 90 /** Will generate the products of the two given tracks
>> 91 */
>> 92 virtual G4ITReactionChange* MakeReaction(const G4Track&, const G4Track&) ;
>> 93
>> 94 inline void SetReactionModel(G4VDNAReactionModel*);
>> 95 inline void SetReactionTable(const G4DNAMolecularReactionTable*);
>> 96
>> 97 inline void SetVerbose(int);
>> 98 // 1 : only when make reaction is called
>> 99 // 2 : both make reaction + test reactibility are called
>> 100
>> 101 protected:
>> 102 const G4DNAMolecularReactionTable*& fMolReactionTable;
>> 103 G4VDNAReactionModel* fReactionModel;
>> 104 G4int fVerbose;
>> 105 G4double fReactionRadius ;
>> 106 G4double fDistance;
>> 107 private:
86 }; 108 };
>> 109
>> 110 inline void G4DNAMolecularReaction::SetReactionModel(G4VDNAReactionModel* model)
>> 111 {
>> 112 fReactionModel = model;
>> 113 }
>> 114
>> 115 inline void G4DNAMolecularReaction::SetVerbose(int verb)
>> 116 {
>> 117 fVerbose = verb;
>> 118 }
>> 119
>> 120 #endif // G4MOLECULARREACTION_H
87 121