// // ******************************************************************** // * 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. * // ******************************************************************** // // // Author: Mathieu Karamitros (kara@cenbg.in2p3.fr) // // WARNING : This class is released as a prototype. // It might strongly evolve or even disapear in the next releases. // // History: // ----------- // 10 Oct 2011 M.Karamitros created // // ------------------------------------------------------------------- #ifndef G4DNACHEMISTRYMANAGER_HH #define G4DNACHEMISTRYMANAGER_HH #include "globals.hh" #include "G4ThreeVector.hh" #include #include class G4Track; class G4WaterExcitationStructure; class G4WaterIonisationStructure; enum ElectronicModification { fIonizedMolecule, fExcitedMolecule }; /** * G4DNAChemistryManager is called from the physics models. * It creates the water molecules and the solvated electrons and * and send them to G4ITStepManager to be treated in the chemistry stage. * For this, the fActiveChemistry flag needs to be on. * The user can also ask to create a file containing a information about the * creation of water molecules and solvated electrons. */ class G4DNAChemistryManager { public: static G4DNAChemistryManager* Instance(); /** * You should rather use DeleteInstance than the destructor of this class */ static void DeleteInstance(); ~G4DNAChemistryManager(); /** * Tells the chemMan to write into a file * the position and electronic state of the water molecule * and the position thermalized or not of the solvated electron */ void WriteInto(const G4String&, std::ios_base::openmode mode = std::ios_base::out); /** Close the file specified with WriteInto */ void CloseFile(); inline G4bool IsChemistryActived(); inline void SetChemistryActivation(G4bool); /** * Method used by DNA physics model to create a water molecule. * The ElectronicModification is a flag telling wheter the molecule * is ionized or excited, the electronic level is calculated by the * model and the IncomingTrack is the track responsible for the creation * of this molecule, for instance an electron. */ void CreateWaterMolecule(ElectronicModification, G4int /*electronicLevel*/, const G4Track* /*theIncomingTrack*/); /** * On the same idea as the previous method but for solvated electron. * This method should be used by the physics model of the ElectronSolvatation * process. */ void CreateSolvatedElectron(const G4Track* /*theIncomingTrack*/, G4ThreeVector* finalPosition = 0); protected : G4WaterExcitationStructure* GetExcitationLevel(); G4WaterIonisationStructure* GetIonisationLevel(); private: G4DNAChemistryManager(); static std::auto_ptr fInstance; bool fActiveChemistry; std::ofstream fOutput; G4bool fWriteFile; G4WaterExcitationStructure* fExcitationLevel; G4WaterIonisationStructure* fIonisationLevel; }; inline G4bool G4DNAChemistryManager::IsChemistryActived() { return fActiveChemistry; } inline void G4DNAChemistryManager::SetChemistryActivation(G4bool flag) { fActiveChemistry = flag; } #endif // G4DNACHEMISTRYMANAGER_HH