Gabriele Cosmo
125 lines
4.5 KiB
C++
125 lines
4.5 KiB
C++
//
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// ********************************************************************
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// * License and Disclaimer *
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// * *
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// * The Geant4 software is copyright of the Copyright Holders of *
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// * the Geant4 Collaboration. It is provided under the terms and *
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// * conditions of the Geant4 Software License, included in the file *
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// * LICENSE and available at http://cern.ch/geant4/license . These *
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// * include a list of copyright holders. *
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// * *
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// * Neither the authors of this software system, nor their employing *
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// * institutes,nor the agencies providing financial support for this *
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// * work make any representation or warranty, express or implied, *
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// * regarding this software system or assume any liability for its *
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// * use. Please see the license in the file LICENSE and URL above *
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// * for the full disclaimer and the limitation of liability. *
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// * *
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// * This code implementation is the result of the scientific and *
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// * technical work of the GEANT4 collaboration. *
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// * By using, copying, modifying or distributing the software (or *
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// * any work based on the software) you agree to acknowledge its *
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// * use in resulting scientific publications, and indicate your *
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// * acceptance of all terms of the Geant4 Software license. *
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// ********************************************************************
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//
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//
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// Author: Mathieu Karamitros
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// The code is developed in the framework of the ESA AO7146
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//
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// We would be very happy hearing from you, send us your feedback! :)
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//
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// In order for Geant4-DNA to be maintained and still open-source,
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// article citations are crucial.
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// If you use Geant4-DNA chemistry and you publish papers about your software,
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// in addition to the general paper on Geant4-DNA:
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//
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// Int. J. Model. Simul. Sci. Comput. 1 (2010) 157–178
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//
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// we would be very happy if you could please also cite the following
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// reference papers on chemistry:
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//
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// J. Comput. Phys. 274 (2014) 841-882
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// Prog. Nucl. Sci. Tec. 2 (2011) 503-508
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#pragma once
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#include "G4VITTimeStepComputer.hh"
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#include "G4KDTreeResult.hh"
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#include "G4ITTrackHolder.hh"
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#include "G4ITReaction.hh"
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class G4VDNAReactionModel;
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class G4DNAMolecularReactionTable;
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class G4MolecularConfiguration;
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class G4Molecule;
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/**
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* Given a molecule G4DNAMoleculeEncounterStepper will calculate for its possible reactants
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* what will be the minimum encounter time and the associated molecules.*
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*
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* This model includes dynamical time steps as explained in
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* "Computer-Aided Stochastic Modeling of the Radiolysis of Liquid Water",
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* V. Michalik, M. Begusová, E. A. Bigildeev,
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* Radiation Research, Vol. 149, No. 3 (Mar., 1998), pp. 224-236
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*
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*/
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class G4DNAMoleculeEncounterStepper : public G4VITTimeStepComputer
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{
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public:
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G4DNAMoleculeEncounterStepper();
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~G4DNAMoleculeEncounterStepper() override;
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G4DNAMoleculeEncounterStepper(const G4DNAMoleculeEncounterStepper&) = delete;
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G4DNAMoleculeEncounterStepper& operator=(const G4DNAMoleculeEncounterStepper&) = delete;
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void Prepare() override;
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G4double CalculateStep(const G4Track&, const G4double&) override;
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G4double CalculateMinTimeStep(G4double, G4double) override;
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void SetReactionModel(G4VDNAReactionModel*);
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G4VDNAReactionModel* GetReactionModel();
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void SetVerbose(int);
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// Final time returned when reaction is available in the reaction table = 1
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// All details = 2
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private:
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void InitializeForNewTrack();
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class Utils;
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void CheckAndRecordResults(const Utils&,
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#ifdef G4VERBOSE
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const G4double reactionRange,
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#endif
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G4KDTreeResultHandle&);
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G4bool fHasAlreadyReachedNullTime{false};
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const G4DNAMolecularReactionTable*& fMolecularReactionTable;
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G4VDNAReactionModel* fReactionModel{nullptr};
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G4ITTrackHolder* fpTrackContainer;
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G4ITReactionSet* fReactionSet;
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G4int fVerbose{0};
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class Utils
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{
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public:
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Utils(const G4Track& tA, const G4MolecularConfiguration* mB);
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~Utils() = default;
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G4double GetConstant() const
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{
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return fConstant;
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}
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const G4Track& fpTrackA;
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const G4MolecularConfiguration* fpMoleculeB;
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const G4Molecule* fpMoleculeA;
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G4double fDA;
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G4double fDB;
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G4double fConstant;
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};
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};
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