// // ******************************************************************** // * 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. * // ******************************************************************** // // $Id: G4DNAMoleculeEncounterStepper.hh 100802 2016-11-02 14:55:27Z gcosmo $ // // Author: Mathieu Karamitros // The code is developed in the framework of the ESA AO7146 // // We would be very happy hearing from you, send us your feedback! :) // // In order for Geant4-DNA to be maintained and still open-source, // article citations are crucial. // If you use Geant4-DNA chemistry and you publish papers about your software, // in addition to the general paper on Geant4-DNA: // // Int. J. Model. Simul. Sci. Comput. 1 (2010) 157–178 // // we would be very happy if you could please also cite the following // reference papers on chemistry: // // J. Comput. Phys. 274 (2014) 841-882 // Prog. Nucl. Sci. Tec. 2 (2011) 503-508 #ifndef G4MOLECULEENCOUNTERSTEPPER_H #define G4MOLECULEENCOUNTERSTEPPER_H #include "G4VITTimeStepComputer.hh" #include "G4KDTreeResult.hh" class G4VDNAReactionModel; class G4DNAMolecularReactionTable; class G4MolecularConfiguration; class G4Molecule; /** * Given a molecule G4DNAMoleculeEncounterStepper 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 G4DNAMoleculeEncounterStepper : public G4VITTimeStepComputer { public: G4DNAMoleculeEncounterStepper(); virtual ~G4DNAMoleculeEncounterStepper(); G4DNAMoleculeEncounterStepper(const G4DNAMoleculeEncounterStepper&); G4IT_ADD_CLONE(G4VITTimeStepComputer,G4DNAMoleculeEncounterStepper) virtual void Prepare(); // virtual void PrepareForAllProcessors(); virtual G4double CalculateStep(const G4Track&, const G4double&); inline void SetReactionModel(G4VDNAReactionModel*); inline G4VDNAReactionModel* GetReactionModel(); inline void SetVerbose(int); // Final time returned when reaction is avalaible 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; G4DNAMoleculeEncounterStepper& operator=(const G4DNAMoleculeEncounterStepper&); const G4DNAMolecularReactionTable*& fMolecularReactionTable; G4VDNAReactionModel* fReactionModel; G4int fVerbose; class Utils { public: Utils(const G4Track& tA, G4MolecularConfiguration* mB); ~Utils(){;} G4double GetConstant() const { return Constant; } const G4Track& trackA; G4MolecularConfiguration* moleculeB; const G4Molecule* moleculeA; G4double DA; G4double DB; G4double Constant; }; }; inline void G4DNAMoleculeEncounterStepper::SetReactionModel(G4VDNAReactionModel* reactionModel) { fReactionModel = reactionModel; } inline G4VDNAReactionModel* G4DNAMoleculeEncounterStepper::GetReactionModel() { return fReactionModel; } inline void G4DNAMoleculeEncounterStepper::SetVerbose(int flag) { fVerbose = flag; } #endif // G4MOLECULEENCOUNTERSTEPPER_H