include/Geant4/G4DNAScavengerMaterial.hh

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0026
0027 #ifndef G4DNASCAVENGERMATERIAL_HH
0028 #define G4DNASCAVENGERMATERIAL_HH
0029 #include "globals.hh"
0030 #include "G4ios.hh"
0031 #include <map>
0032 #include <vector>
0033 #include "G4VMoleculeCounterInternalBase.hh"
0034 #include "G4VScavengerMaterial.hh"
0035 #include "G4MoleculeTable.hh"
0036 #include "G4ChemEquilibrium.hh"
0037
0038 class G4Material;
0039 class G4MolecularConfiguration;
0040 class G4VChemistryWorld;
0041
0042 class G4DNAScavengerMaterial : public G4VScavengerMaterial
0043 {
0044  public:
0045   using NbMoleculeInTime =
0046     std::map<G4double, int64_t, G4::MoleculeCounter::FixedTimeComparer>;
0047   using MolType            = const G4MolecularConfiguration*;
0048   using MaterialMap        = std::map<MolType, int64_t>;
0049   using ReactantList       = std::vector<MolType>;
0050   using CounterMapType     = std::map<MolType, NbMoleculeInTime>;
0051   G4DNAScavengerMaterial() = default;
0052   explicit G4DNAScavengerMaterial(G4VChemistryWorld*);
0053   ~G4DNAScavengerMaterial() override                          = default;
0054   G4DNAScavengerMaterial(const G4DNAScavengerMaterial& right) = delete;
0055   G4DNAScavengerMaterial& operator=(const G4DNAScavengerMaterial&) = delete;
0056   void Initialize();
0057
0058   void ReduceNumberMoleculePerVolumeUnitForMaterialConf(MolType, G4double);
0059   void AddNumberMoleculePerVolumeUnitForMaterialConf(MolType, G4double);
0060   G4double GetNumberMoleculePerVolumeUnitForMaterialConf(MolType) const;
0061
0062   void AddAMoleculeAtTime(MolType, G4double time,
0063                           const G4ThreeVector* position = nullptr,
0064                           G4int number                  = 1);
0065   void RemoveAMoleculeAtTime(MolType, G4double time,
0066                              const G4ThreeVector* position = nullptr,
0067                              G4int number                  = 1);
0068
0069   void Reset() override;
0070
0071   void PrintInfo();
0072
0073   MaterialMap::iterator end() { return fScavengerTable.end(); }
0074   MaterialMap::iterator begin() { return fScavengerTable.begin(); }
0075   size_t size() { return fScavengerTable.size(); }
0076
0077   G4bool find(MolType type)
0078   {
0079     auto it = fScavengerTable.find(type);
0080     if(it != fScavengerTable.end())
0081     {
0082       return it->second > 0;
0083     }
0084     return false;
0085   }
0086
0087   void SetCounterAgainstTime() { fCounterAgainstTime = true; }
0088   void SetpH(const G4int& ph);
0089   G4double GetpH();
0090
0091   std::vector<MolType> GetScavengerList() const
0092   {
0093     std::vector<MolType> output;
0094     for(const auto& it : fScavengerTable)
0095     {
0096       output.push_back(it.first);
0097     }
0098     return output;
0099   }
0100
0101   void Dump();
0102   int64_t GetNMoleculesAtTime(MolType molecule, G4double time);
0103   G4bool SearchTimeMap(MolType molecule);
0104   int64_t SearchUpperBoundTime(G4double time, G4bool sameTypeOfMolecule);
0105   void ResetEquilibrium();
0106   G4bool SetEquilibrium(const G4DNAMolecularReactionData* pReaction,
0107                         G4double time);
0108   G4bool IsEquilibrium(const G4int& reactionType) const;
0109
0110 private:
0111   G4VChemistryWorld* fpChemistryInfo = nullptr;
0112   G4bool fIsInitialized;
0113   MaterialMap fScavengerTable;
0114   CounterMapType fCounterMap;
0115   G4bool fCounterAgainstTime;
0116   G4int fVerbose;
0117   MolType fH3Op = G4MoleculeTable::Instance()->GetConfiguration("H3Op(B)");
0118   MolType fH2O = G4MoleculeTable::Instance()->GetConfiguration("H2O");
0119   MolType fHOm = G4MoleculeTable::Instance()->GetConfiguration("OHm(B)");
0120   struct Search
0121   {
0122     Search() { fLowerBoundSet = false; }
0123     CounterMapType::iterator fLastMoleculeSearched;
0124     NbMoleculeInTime::iterator fLowerBoundTime;
0125     G4bool fLowerBoundSet;
0126   };
0127
0128   std::unique_ptr<Search> fpLastSearch;
0129   void WaterEquilibrium();
0130
0131   std::map<G4int,std::unique_ptr<G4ChemEquilibrium>> fEquilibriumProcesses;
0132 };
0133 #endif  // G4DNASCAVENGERMATERIAL_HH