include/Geant4/G4DNAScavengerMaterial.hh

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0025 //
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 "G4MoleculeCounter.hh"
0034 #include "G4VScavengerMaterial.hh"
0035 #include "G4MoleculeTable.hh"
0036
0037 class G4Material;
0038 class G4MolecularConfiguration;
0039 class G4VChemistryWorld;
0040
0041 class G4DNAScavengerMaterial : public G4VScavengerMaterial
0042 {
0043  public:
0044   using NbMoleculeInTime =
0045     std::map<G4double, int64_t, G4::MoleculeCounter::TimePrecision>;
0046   using MolType            = const G4MolecularConfiguration*;
0047   using MaterialMap        = std::map<MolType, int64_t>;
0048   using ReactantList       = std::vector<MolType>;
0049   using CounterMapType     = std::map<MolType, NbMoleculeInTime>;
0050   G4DNAScavengerMaterial() = default;
0051   explicit G4DNAScavengerMaterial(G4VChemistryWorld*);
0052   ~G4DNAScavengerMaterial() override                          = default;
0053   G4DNAScavengerMaterial(const G4DNAScavengerMaterial& right) = delete;
0054   G4DNAScavengerMaterial& operator=(const G4DNAScavengerMaterial&) = delete;
0055   void Initialize();
0056
0057   void ReduceNumberMoleculePerVolumeUnitForMaterialConf(MolType, G4double);
0058   void AddNumberMoleculePerVolumeUnitForMaterialConf(MolType, G4double);
0059   G4double GetNumberMoleculePerVolumeUnitForMaterialConf(MolType) const;
0060
0061   void AddAMoleculeAtTime(MolType, G4double time,
0062                           const G4ThreeVector* position = nullptr,
0063                           G4int number                  = 1);
0064   void RemoveAMoleculeAtTime(MolType, G4double time,
0065                              const G4ThreeVector* position = nullptr,
0066                              G4int number                  = 1);
0067
0068   void Reset() override;
0069
0070   void PrintInfo();
0071
0072   MaterialMap::iterator end() { return fScavengerTable.end(); }
0073   MaterialMap::iterator begin() { return fScavengerTable.begin(); }
0074   size_t size() { return fScavengerTable.size(); }
0075
0076   G4bool find(MolType type)
0077   {
0078     auto it = fScavengerTable.find(type);
0079     if(it != fScavengerTable.end())
0080     {
0081       return it->second > 0;
0082     }
0083
0084     return false;
0085
0086   }
0087
0088   void SetCounterAgainstTime() { fCounterAgainstTime = true; }
0089   void SetpH(const G4int& ph);
0090   G4double GetpH();
0091
0092   std::vector<MolType> GetScavengerList() const
0093   {
0094     std::vector<MolType> output;
0095     for(const auto& it : fScavengerTable)
0096     {
0097       output.push_back(it.first);
0098     }
0099     return output;
0100   }
0101
0102   void Dump();
0103   int64_t GetNMoleculesAtTime(MolType molecule, G4double time);
0104   G4bool SearchTimeMap(MolType molecule);
0105   int64_t SearchUpperBoundTime(G4double time, G4bool sameTypeOfMolecule);
0106
0107  private:
0108   G4VChemistryWorld* fpChemistryInfo;
0109   G4bool fIsInitialized;
0110   MaterialMap fScavengerTable;
0111   CounterMapType fCounterMap;
0112   G4bool fCounterAgainstTime;
0113   G4int fVerbose;
0114   MolType fH3Op = G4MoleculeTable::Instance()->GetConfiguration("H3Op(B)");
0115   MolType fH2O = G4MoleculeTable::Instance()->GetConfiguration("H2O");
0116   MolType fHOm = G4MoleculeTable::Instance()->GetConfiguration("OHm(B)");
0117   struct Search
0118   {
0119     Search() { fLowerBoundSet = false; }
0120     CounterMapType::iterator fLastMoleculeSearched;
0121     NbMoleculeInTime::iterator fLowerBoundTime;
0122     G4bool fLowerBoundSet;
0123   };
0124
0125   std::unique_ptr<Search> fpLastSearch;
0126   void WaterEquilibrium();
0127
0128 };
0129 #endif  // G4DNASCAVENGERMATERIAL_HH