// // ******************************************************************** // * License and Disclaimer * // * * // * The Geant4 software is copyright of the Copyright Holders of * // * the Geant4 Collaboration. It is provided under the terms and * // * conditions of the Geant4 Software License, included in the file * // * LICENSE and available at http://cern.ch/geant4/license . These * // * include a list of copyright holders. * // * * // * Neither the authors of this software system, nor their employing * // * institutes,nor the agencies providing financial support for this * // * work make any representation or warranty, express or implied, * // * regarding this software system or assume any liability for its * // * use. Please see the license in the file LICENSE and URL above * // * for the full disclaimer and the limitation of liability. * // * * // * This code implementation is the result of the scientific and * // * technical work of the GEANT4 collaboration. * // * By using, copying, modifying or distributing the software (or * // * any work based on the software) you agree to acknowledge its * // * use in resulting scientific publications, and indicate your * // * acceptance of all terms of the Geant4 Software license. * // ******************************************************************** // // /* * G4DNAIRTMoleculeEncounterStepper.hh * * Created on: Jul 23, 2019 * Author: W. G. Shin * J. Ramos-Mendez and B. Faddegon */ #pragma once #include "G4VITTimeStepComputer.hh" #include "G4KDTreeResult.hh" #include "G4ITReaction.hh" #include "G4ITTrackHolder.hh" class G4VDNAReactionModel; class G4DNAMolecularReactionTable; class G4MolecularConfiguration; class G4Molecule; /** * Given a molecule G4DNAIRTMoleculeEncounterStepper will calculate for its possible reactants * what will be the minimum encounter time and the associated molecules.* * * This model includes dynamical time steps as explained in * "Computer-Aided Stochastic Modeling of the Radiolysis of Liquid Water", * V. Michalik, M. Begusová, E. A. Bigildeev, * Radiation Research, Vol. 149, No. 3 (Mar., 1998), pp. 224-236 * */ class G4DNAIRTMoleculeEncounterStepper : public G4VITTimeStepComputer { public: G4DNAIRTMoleculeEncounterStepper(); ~G4DNAIRTMoleculeEncounterStepper() override; G4DNAIRTMoleculeEncounterStepper(const G4DNAIRTMoleculeEncounterStepper&) = delete; G4DNAIRTMoleculeEncounterStepper& operator=(const G4DNAIRTMoleculeEncounterStepper&) = delete; void Prepare() override; G4double CalculateStep(const G4Track&, const G4double&) override; G4double CalculateMinTimeStep(G4double, G4double) override; void SetReactionModel(G4VDNAReactionModel*); G4VDNAReactionModel* GetReactionModel(); void SetVerbose(int); // Final time returned when reaction is available in the reaction table = 1 // All details = 2 private: void InitializeForNewTrack(); class Utils; void CheckAndRecordResults(const Utils&, #ifdef G4VERBOSE const G4double reactionRange, #endif G4KDTreeResultHandle&); G4bool fHasAlreadyReachedNullTime{false}; const G4DNAMolecularReactionTable*& fMolecularReactionTable; G4VDNAReactionModel* fReactionModel{nullptr}; G4ITReactionSet* fReactionSet; G4ITTrackHolder* fpTrackContainer; G4int fVerbose{0}; class Utils { public: Utils(const G4Track& tA, const G4MolecularConfiguration* mB); ~Utils() = default; G4double GetConstant() const { return fConstant; } const G4Track& fpTrackA; const G4MolecularConfiguration* fpMoleculeB; const G4Molecule* fpMoleculeA; G4double fDA; G4double fDB; G4double fConstant; }; };