// // ******************************************************************** // * 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 (AT) 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 G4MolecularReactionTable_h #define G4MolecularReactionTable_h 1 #include "G4ITReactionTable.hh" #include "G4Molecule.hh" #include #include #include "G4ReferenceCast.hh" class G4VDNAReactionModel ; class G4DNAMolecularReactionTable; /** * G4DNAMolecularReactionData contains the information * relative to a given reaction (eg : °OH + °OH -> H2O2) */ class G4DNAMolecularReactionData { public : G4DNAMolecularReactionData(G4double reactionRate, const G4Molecule* reactive1, const G4Molecule* reactive2); ~G4DNAMolecularReactionData(); const G4Molecule* GetReactive1() const { return fReactive1.get(); } const G4Molecule* GetReactive2() const { return fReactive2.get(); } G4double GetReactionRate() const {return fReactionRate;} G4double GetReducedReactionRadius() const {return fReducedReactionRadius;} //_____________________________________________________ void SetReactive1(const G4Molecule* reactive) ; void SetReactive2(const G4Molecule* reactive) ; void SetReactive(const G4Molecule* reactive1, const G4Molecule* reactive2); void AddProduct(const G4Molecule* molecule); G4int GetNbProducts() const { if(fProducts) return fProducts->size(); return 0; } const G4Molecule* GetProduct(G4int i) const { if(fProducts) return (*fProducts)[i].get(); return 0; } protected : G4DNAMolecularReactionData(); G4MoleculeHandle fReactive1; G4MoleculeHandle fReactive2; G4double fReactionRate; G4double fReducedReactionRadius; std::vector* fProducts; }; struct compMoleculeP { bool operator () (const G4Molecule* molecule1, const G4Molecule* molecule2) const { return *molecule1<*molecule2; } }; /** * G4DNAMolecularReactionTable sorts out the G4DNAMolecularReactionData * for bimolecular reaction */ class G4DNAMolecularReactionTable : public G4ITReactionTable { protected: G4DNAMolecularReactionTable(); static G4DNAMolecularReactionTable* fInstance; public : static G4DNAMolecularReactionTable* GetReactionTable(); static void DeleteInstance(); virtual ~G4DNAMolecularReactionTable(); /** * Define a reaction : * First argument : reaction rate * Second argument : reactant 1 * Third argument : reactant 2 * Fourth argument : a std std::vector holding the molecular products * if this last argument is NULL then it will be interpreted as * a reaction giving no products */ void SetReaction(G4double observedReactionRate, const G4Molecule* reactive1, const G4Molecule* reactive2); void SetReaction(G4DNAMolecularReactionData*); const G4DNAMolecularReactionData* GetReactionData(const G4Molecule*, const G4Molecule*) const; //_________________________________________________________________ /** * Given a molecule's type, it returns with which a reaction is allowed */ const std::vector* CanReactWith(const G4Molecule* aMolecule) const ; const std::map* GetReativesNData(const G4Molecule* aMolecule) const ; const std::vector* GetReactionData(const G4Molecule*) const ; //_________________________________________________________________ void PrintTable(G4VDNAReactionModel* = 0); protected : const G4MoleculeHandleManager* fMoleculeHandleManager; G4bool fVerbose; //_________________________________________________ typedef std::map, compMoleculeP > ReactionDataMap; typedef std::map,compMoleculeP> ReactivesMV ; typedef std::map,compMoleculeP> ReactionDataMV ; ReactionDataMap fReactionData; ReactivesMV fReactivesMV; ReactionDataMV fReactionDataMV; }; #endif /*G4MolecularReactionTable_HH*/