Import Geant4 9.5.0 source tree

source/processes/electromagnetic/dna/utils/include/G4DNAMolecularReactionTable.hh

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+//
+// ********************************************************************
+// * 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 <vector>
+#include <map>
+#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<G4MoleculeHandle>* 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<const G4Molecule*>* CanReactWith(const G4Molecule* aMolecule) const ;
+    const std::map<const G4Molecule*, const G4DNAMolecularReactionData*, compMoleculeP>* GetReativesNData(const G4Molecule* aMolecule) const ;
+    const std::vector<const G4DNAMolecularReactionData*>* GetReactionData(const G4Molecule*) const ;
+
+    //_________________________________________________________________
+    void PrintTable(G4VDNAReactionModel* = 0);
+
+protected :
+    const G4MoleculeHandleManager* fMoleculeHandleManager;
+    G4bool fVerbose;
+
+    //_________________________________________________
+    typedef std::map<const G4Molecule*,
+                        std::map<const G4Molecule*,
+                                 const G4DNAMolecularReactionData*,
+                                 compMoleculeP>,
+                    compMoleculeP > ReactionDataMap;
+    typedef std::map<const G4Molecule*,std::vector<const G4Molecule*>,compMoleculeP> ReactivesMV ;
+    typedef std::map<const G4Molecule*,std::vector<const G4DNAMolecularReactionData*>,compMoleculeP> ReactionDataMV ;
+
+    ReactionDataMap fReactionData;
+    ReactivesMV     fReactivesMV;
+    ReactionDataMV  fReactionDataMV;
+};
+#endif /*G4MolecularReactionTable_HH*/
+