Gabriele Cosmo
134 lines
5.1 KiB
C++
134 lines
5.1 KiB
C++
//
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// ********************************************************************
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// * License and Disclaimer *
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// * *
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// * The Geant4 software is copyright of the Copyright Holders of *
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// * the Geant4 Collaboration. It is provided under the terms and *
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// * conditions of the Geant4 Software License, included in the file *
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// * LICENSE and available at http://cern.ch/geant4/license . These *
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// * include a list of copyright holders. *
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// * *
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// * Neither the authors of this software system, nor their employing *
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// * institutes,nor the agencies providing financial support for this *
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// * work make any representation or warranty, express or implied, *
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// * regarding this software system or assume any liability for its *
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// * use. Please see the license in the file LICENSE and URL above *
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// * for the full disclaimer and the limitation of liability. *
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// * *
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// * This code implementation is the result of the scientific and *
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// * technical work of the GEANT4 collaboration. *
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// * By using, copying, modifying or distributing the software (or *
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// * any work based on the software) you agree to acknowledge its *
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// * use in resulting scientific publications, and indicate your *
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// * acceptance of all terms of the Geant4 Software license. *
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// ********************************************************************
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//
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#ifndef G4DNASCAVENGERMATERIAL_HH
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#define G4DNASCAVENGERMATERIAL_HH
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#include "globals.hh"
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#include "G4ios.hh"
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#include <map>
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#include <vector>
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#include "G4VMoleculeCounterInternalBase.hh"
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#include "G4VScavengerMaterial.hh"
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#include "G4MoleculeTable.hh"
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#include "G4ChemEquilibrium.hh"
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class G4Material;
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class G4MolecularConfiguration;
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class G4VChemistryWorld;
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class G4DNAScavengerMaterial : public G4VScavengerMaterial
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{
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public:
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using NbMoleculeInTime =
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std::map<G4double, int64_t, G4::MoleculeCounter::FixedTimeComparer>;
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using MolType = const G4MolecularConfiguration*;
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using MaterialMap = std::map<MolType, int64_t>;
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using ReactantList = std::vector<MolType>;
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using CounterMapType = std::map<MolType, NbMoleculeInTime>;
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G4DNAScavengerMaterial() = default;
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explicit G4DNAScavengerMaterial(G4VChemistryWorld*);
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~G4DNAScavengerMaterial() override = default;
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G4DNAScavengerMaterial(const G4DNAScavengerMaterial& right) = delete;
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G4DNAScavengerMaterial& operator=(const G4DNAScavengerMaterial&) = delete;
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void Initialize();
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void ReduceNumberMoleculePerVolumeUnitForMaterialConf(MolType, G4double);
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void AddNumberMoleculePerVolumeUnitForMaterialConf(MolType, G4double);
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G4double GetNumberMoleculePerVolumeUnitForMaterialConf(MolType) const;
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void AddAMoleculeAtTime(MolType, G4double time,
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const G4ThreeVector* position = nullptr,
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G4int number = 1);
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void RemoveAMoleculeAtTime(MolType, G4double time,
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const G4ThreeVector* position = nullptr,
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G4int number = 1);
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void Reset() override;
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void PrintInfo();
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MaterialMap::iterator end() { return fScavengerTable.end(); }
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MaterialMap::iterator begin() { return fScavengerTable.begin(); }
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size_t size() { return fScavengerTable.size(); }
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G4bool find(MolType type)
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{
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auto it = fScavengerTable.find(type);
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if(it != fScavengerTable.end())
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{
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return it->second > 0;
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}
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return false;
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}
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void SetCounterAgainstTime() { fCounterAgainstTime = true; }
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void SetpH(const G4int& ph);
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G4double GetpH();
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std::vector<MolType> GetScavengerList() const
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{
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std::vector<MolType> output;
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for(const auto& it : fScavengerTable)
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{
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output.push_back(it.first);
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}
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return output;
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}
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void Dump();
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int64_t GetNMoleculesAtTime(MolType molecule, G4double time);
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G4bool SearchTimeMap(MolType molecule);
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int64_t SearchUpperBoundTime(G4double time, G4bool sameTypeOfMolecule);
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void ResetEquilibrium();
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G4bool SetEquilibrium(const G4DNAMolecularReactionData* pReaction,
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G4double time);
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G4bool IsEquilibrium(const G4int& reactionType) const;
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private:
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G4VChemistryWorld* fpChemistryInfo = nullptr;
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G4bool fIsInitialized;
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MaterialMap fScavengerTable;
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CounterMapType fCounterMap;
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G4bool fCounterAgainstTime;
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G4int fVerbose;
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MolType fH3Op = G4MoleculeTable::Instance()->GetConfiguration("H3Op(B)");
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MolType fH2O = G4MoleculeTable::Instance()->GetConfiguration("H2O");
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MolType fHOm = G4MoleculeTable::Instance()->GetConfiguration("OHm(B)");
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struct Search
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{
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Search() { fLowerBoundSet = false; }
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CounterMapType::iterator fLastMoleculeSearched;
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NbMoleculeInTime::iterator fLowerBoundTime;
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G4bool fLowerBoundSet;
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};
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std::unique_ptr<Search> fpLastSearch;
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void WaterEquilibrium();
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std::map<G4int,std::unique_ptr<G4ChemEquilibrium>> fEquilibriumProcesses;
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};
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#endif // G4DNASCAVENGERMATERIAL_HH
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