Gabriele Cosmo
169 lines
6.3 KiB
C++
169 lines
6.3 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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// $Id: G4DNAMolecularReactionTable.hh 70171 2013-05-24 13:34:18Z gcosmo $
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//
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// Author: Mathieu Karamitros (kara (AT) cenbg . in2p3 . fr)
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//
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// WARNING : This class is released as a prototype.
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// It might strongly evolve or even disapear in the next releases.
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//
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// History:
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// -----------
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// 10 Oct 2011 M.Karamitros created
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//
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// -------------------------------------------------------------------
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#ifndef G4MolecularReactionTable_h
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#define G4MolecularReactionTable_h 1
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#include "G4ITReactionTable.hh"
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#include "G4Molecule.hh"
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#include <vector>
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#include <map>
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#include "G4ReferenceCast.hh"
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class G4VDNAReactionModel ;
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class G4DNAMolecularReactionTable;
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/**
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* G4DNAMolecularReactionData contains the information
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* relative to a given reaction (eg : °OH + °OH -> H2O2)
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*/
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class G4DNAMolecularReactionData
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{
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public :
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G4DNAMolecularReactionData(G4double reactionRate,
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const G4Molecule* reactive1,
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const G4Molecule* reactive2);
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~G4DNAMolecularReactionData();
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const G4Molecule* GetReactive1() const { return fReactive1.get(); }
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const G4Molecule* GetReactive2() const { return fReactive2.get(); }
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G4double GetReactionRate() const {return fReactionRate;}
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G4double GetReducedReactionRadius() const {return fReducedReactionRadius;}
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//_____________________________________________________
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void SetReactive1(const G4Molecule* reactive) ;
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void SetReactive2(const G4Molecule* reactive) ;
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void SetReactive(const G4Molecule* reactive1, const G4Molecule* reactive2);
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void AddProduct(const G4Molecule* molecule);
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G4int GetNbProducts() const
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{
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if(fProducts) return fProducts->size();
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return 0;
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}
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const G4Molecule* GetProduct(G4int i) const
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{
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if(fProducts) return (*fProducts)[i].get();
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return 0;
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}
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protected :
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G4DNAMolecularReactionData();
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G4MoleculeHandle fReactive1;
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G4MoleculeHandle fReactive2;
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G4double fReactionRate;
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G4double fReducedReactionRadius;
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std::vector<G4MoleculeHandle>* fProducts;
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};
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struct compMoleculeP
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{
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bool operator () (const G4Molecule* molecule1, const G4Molecule* molecule2) const
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{
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return *molecule1<*molecule2;
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}
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};
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/**
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* G4DNAMolecularReactionTable sorts out the G4DNAMolecularReactionData
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* for bimolecular reaction
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*/
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class G4DNAMolecularReactionTable : public G4ITReactionTable
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{
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protected:
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G4DNAMolecularReactionTable();
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static G4DNAMolecularReactionTable* fInstance;
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// static G4ThreadLocal G4DNAMolecularReactionTable* fInstance;
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public :
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static G4DNAMolecularReactionTable* GetReactionTable();
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static void DeleteInstance();
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virtual ~G4DNAMolecularReactionTable();
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/**
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* Define a reaction :
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* First argument : reaction rate
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* Second argument : reactant 1
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* Third argument : reactant 2
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* Fourth argument : a std std::vector holding the molecular products
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* if this last argument is NULL then it will be interpreted as
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* a reaction giving no products
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*/
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void SetReaction(G4double observedReactionRate,
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const G4Molecule* reactive1, const G4Molecule* reactive2);
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void SetReaction(G4DNAMolecularReactionData*);
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const G4DNAMolecularReactionData* GetReactionData(const G4Molecule*, const G4Molecule*) const;
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//_________________________________________________________________
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/**
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* Given a molecule's type, it returns with which a reaction is allowed
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*/
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const std::vector<const G4Molecule*>* CanReactWith(const G4Molecule* aMolecule) const ;
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const std::map<const G4Molecule*, const G4DNAMolecularReactionData*, compMoleculeP>* GetReativesNData(const G4Molecule* aMolecule) const ;
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const std::vector<const G4DNAMolecularReactionData*>* GetReactionData(const G4Molecule*) const ;
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//_________________________________________________________________
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void PrintTable(G4VDNAReactionModel* = 0);
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protected :
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const G4MoleculeHandleManager* fMoleculeHandleManager;
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G4bool fVerbose;
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//_________________________________________________
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typedef std::map<const G4Molecule*,
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std::map<const G4Molecule*,
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const G4DNAMolecularReactionData*,
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compMoleculeP>,
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compMoleculeP > ReactionDataMap;
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typedef std::map<const G4Molecule*,std::vector<const G4Molecule*>,compMoleculeP> ReactivesMV ;
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typedef std::map<const G4Molecule*,std::vector<const G4DNAMolecularReactionData*>,compMoleculeP> ReactionDataMV ;
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ReactionDataMap fReactionData;
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ReactivesMV fReactivesMV;
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ReactionDataMV fReactionDataMV;
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};
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#endif /*G4MolecularReactionTable_HH*/
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