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