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00039 #ifndef G4MolecularReactionTable_h
00040 #define G4MolecularReactionTable_h 1
00041
00042 #include "G4ITReactionTable.hh"
00043 #include "G4Molecule.hh"
00044 #include <vector>
00045 #include <map>
00046 #include "G4ReferenceCast.hh"
00047
00048 class G4VDNAReactionModel ;
00049 class G4DNAMolecularReactionTable;
00050
00056 class G4DNAMolecularReactionData
00057 {
00058 public :
00059 G4DNAMolecularReactionData(G4double reactionRate,
00060 const G4Molecule* reactive1,
00061 const G4Molecule* reactive2);
00062 ~G4DNAMolecularReactionData();
00063
00064 const G4Molecule* GetReactive1() const { return fReactive1.get(); }
00065 const G4Molecule* GetReactive2() const { return fReactive2.get(); }
00066
00067 G4double GetReactionRate() const {return fReactionRate;}
00068 G4double GetReducedReactionRadius() const {return fReducedReactionRadius;}
00069
00070
00071 void SetReactive1(const G4Molecule* reactive) ;
00072 void SetReactive2(const G4Molecule* reactive) ;
00073 void SetReactive(const G4Molecule* reactive1, const G4Molecule* reactive2);
00074 void AddProduct(const G4Molecule* molecule);
00075
00076 G4int GetNbProducts() const
00077 {
00078 if(fProducts) return fProducts->size();
00079 return 0;
00080 }
00081
00082 const G4Molecule* GetProduct(G4int i) const
00083 {
00084 if(fProducts) return (*fProducts)[i].get();
00085 return 0;
00086 }
00087
00088 protected :
00089 G4DNAMolecularReactionData();
00090 G4MoleculeHandle fReactive1;
00091 G4MoleculeHandle fReactive2;
00092 G4double fReactionRate;
00093 G4double fReducedReactionRadius;
00094
00095 std::vector<G4MoleculeHandle>* fProducts;
00096 };
00097
00098 struct compMoleculeP
00099 {
00100 bool operator () (const G4Molecule* molecule1, const G4Molecule* molecule2) const
00101 {
00102 return *molecule1<*molecule2;
00103 }
00104 };
00105
00111 class G4DNAMolecularReactionTable : public G4ITReactionTable
00112 {
00113 protected:
00114 G4DNAMolecularReactionTable();
00115 static G4DNAMolecularReactionTable* fInstance;
00116
00117 public :
00118 static G4DNAMolecularReactionTable* GetReactionTable();
00119 static void DeleteInstance();
00120 virtual ~G4DNAMolecularReactionTable();
00121
00131 void SetReaction(G4double observedReactionRate,
00132 const G4Molecule* reactive1, const G4Molecule* reactive2);
00133
00134 void SetReaction(G4DNAMolecularReactionData*);
00135
00136 const G4DNAMolecularReactionData* GetReactionData(const G4Molecule*, const G4Molecule*) const;
00137
00138
00142 const std::vector<const G4Molecule*>* CanReactWith(const G4Molecule* aMolecule) const ;
00143 const std::map<const G4Molecule*, const G4DNAMolecularReactionData*, compMoleculeP>* GetReativesNData(const G4Molecule* aMolecule) const ;
00144 const std::vector<const G4DNAMolecularReactionData*>* GetReactionData(const G4Molecule*) const ;
00145
00146
00147 void PrintTable(G4VDNAReactionModel* = 0);
00148
00149 protected :
00150 const G4MoleculeHandleManager* fMoleculeHandleManager;
00151 G4bool fVerbose;
00152
00153
00154 typedef std::map<const G4Molecule*,
00155 std::map<const G4Molecule*,
00156 const G4DNAMolecularReactionData*,
00157 compMoleculeP>,
00158 compMoleculeP > ReactionDataMap;
00159 typedef std::map<const G4Molecule*,std::vector<const G4Molecule*>,compMoleculeP> ReactivesMV ;
00160 typedef std::map<const G4Molecule*,std::vector<const G4DNAMolecularReactionData*>,compMoleculeP> ReactionDataMV ;
00161
00162 ReactionDataMap fReactionData;
00163 ReactivesMV fReactivesMV;
00164 ReactionDataMV fReactionDataMV;
00165 };
00166 #endif
00167