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26
27 #ifndef G4DNASCAVENGERMATERIAL_HH
28 #define G4DNASCAVENGERMATERIAL_HH
29 #include "globals.hh"
30 #include "G4ios.hh"
31 #include <map>
32 #include <vector>
33 #include "G4MoleculeCounter.hh"
34 #include "G4VScavengerMaterial.hh"
35 #include "G4MoleculeTable.hh"
36
37 class G4Material;
38 class G4MolecularConfiguration;
39 class G4VChemistryWorld;
40
41 class G4DNAScavengerMaterial : public G4VScavengerMaterial
42 {
43 public:
44 using NbMoleculeInTime =
45 std::map<G4double, int64_t, G4::MoleculeCounter::TimePrecision>;
46 using MolType = const G4MolecularConfiguration*;
47 using MaterialMap = std::map<MolType, int64_t>;
48 using ReactantList = std::vector<MolType>;
49 using CounterMapType = std::map<MolType, NbMoleculeInTime>;
50 G4DNAScavengerMaterial() = default;
51 explicit G4DNAScavengerMaterial(G4VChemistryWorld*);
52 ~G4DNAScavengerMaterial() override = default;
53 G4DNAScavengerMaterial(const G4DNAScavengerMaterial& right) = delete;
54 G4DNAScavengerMaterial& operator=(const G4DNAScavengerMaterial&) = delete;
55 void Initialize();
56
57 void ReduceNumberMoleculePerVolumeUnitForMaterialConf(MolType, G4double);
58 void AddNumberMoleculePerVolumeUnitForMaterialConf(MolType, G4double);
59 G4double GetNumberMoleculePerVolumeUnitForMaterialConf(MolType) const;
60
61 void AddAMoleculeAtTime(MolType, G4double time,
62 const G4ThreeVector* position = nullptr,
63 G4int number = 1);
64 void RemoveAMoleculeAtTime(MolType, G4double time,
65 const G4ThreeVector* position = nullptr,
66 G4int number = 1);
67
68 void Reset() override;
69
70 void PrintInfo();
71
72 MaterialMap::iterator end() { return fScavengerTable.end(); }
73 MaterialMap::iterator begin() { return fScavengerTable.begin(); }
74 size_t size() { return fScavengerTable.size(); }
75
76 G4bool find(MolType type)
77 {
78 auto it = fScavengerTable.find(type);
79 if(it != fScavengerTable.end())
80 {
81 return it->second > 0;
82 }
83
84 return false;
85
86 }
87
88 void SetCounterAgainstTime() { fCounterAgainstTime = true; }
89 void SetpH(const G4int& ph);
90 G4double GetpH();
91
92 std::vector<MolType> GetScavengerList() const
93 {
94 std::vector<MolType> output;
95 for(const auto& it : fScavengerTable)
96 {
97 output.push_back(it.first);
98 }
99 return output;
100 }
101
102 void Dump();
103 int64_t GetNMoleculesAtTime(MolType molecule, G4double time);
104 G4bool SearchTimeMap(MolType molecule);
105 int64_t SearchUpperBoundTime(G4double time, G4bool sameTypeOfMolecule);
106
107 private:
108 G4VChemistryWorld* fpChemistryInfo;
109 G4bool fIsInitialized;
110 MaterialMap fScavengerTable;
111 CounterMapType fCounterMap;
112 G4bool fCounterAgainstTime;
113 G4int fVerbose;
114 MolType fH3Op = G4MoleculeTable::Instance()->GetConfiguration("H3Op(B)");
115 MolType fH2O = G4MoleculeTable::Instance()->GetConfiguration("H2O");
116 MolType fHOm = G4MoleculeTable::Instance()->GetConfiguration("OHm(B)");
117 struct Search
118 {
119 Search() { fLowerBoundSet = false; }
120 CounterMapType::iterator fLastMoleculeSearched;
121 NbMoleculeInTime::iterator fLowerBoundTime;
122 G4bool fLowerBoundSet;
123 };
124
125 std::unique_ptr<Search> fpLastSearch;
126 void WaterEquilibrium();
127
128 };
129 #endif // G4DNASCAVENGERMATERIAL_HH
130