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1 // 2 // ******************************************************************** 3 // * License and Disclaimer * 4 // * * 5 // * The Geant4 software is copyright of the Copyright Holders of * 6 // * the Geant4 Collaboration. It is provided under the terms and * 7 // * conditions of the Geant4 Software License, included in the file * 8 // * LICENSE and available at http://cern.ch/geant4/license . These * 9 // * include a list of copyright holders. * 10 // * * 11 // * Neither the authors of this software system, nor their employing * 12 // * institutes,nor the agencies providing financial support for this * 13 // * work make any representation or warranty, express or implied, * 14 // * regarding this software system or assume any liability for its * 15 // * use. Please see the license in the file LICENSE and URL above * 16 // * for the full disclaimer and the limitation of liability. * 17 // * * 18 // * This code implementation is the result of the scientific and * 19 // * technical work of the GEANT4 collaboration. * 20 // * By using, copying, modifying or distributing the software (or * 21 // * any work based on the software) you agree to acknowledge its * 22 // * use in resulting scientific publications, and indicate your * 23 // * acceptance of all terms of the Geant4 Software license. * 24 // ******************************************************************** 25 // 26 // 27 // 28 // Created by ngoc hoang tran on 03/08/2023. 29 // 30 31 #ifndef G4ChemEquilibrium_hh 32 #define G4ChemEquilibrium_hh 1 33 #include "globals.hh" 34 #include "G4MoleculeTable.hh" 35 #include "G4UnitsTable.hh" 36 37 class G4DNAMolecularReactionData; 38 class G4ChemEquilibrium //for each Equilibrium process 39 { 40 public: 41 using MolType = const G4MolecularConfiguration*; 42 using Reaction = const G4DNAMolecularReactionData*; 43 explicit G4ChemEquilibrium(const G4int& type, const G4double& time); 44 ~G4ChemEquilibrium() = default; 45 void Initialize(); 46 inline G4bool IsStatusChanged() 47 { 48 if(fStatus == fAddEquilibrium){ 49 return false; 50 }else 51 { 52 fStatus = fAddEquilibrium; 53 if(fVerbose > 0) 54 { 55 PrintInfo(); 56 } 57 return true; 58 } 59 } 60 61 inline void Reset() 62 { 63 fStatus = false; 64 fAddEquilibrium = false; 65 fEquilibriumTime = 0; 66 fGlobalTime = 0; 67 } 68 69 inline void SetVerbose(const G4int& verbose) 70 { 71 fVerbose = verbose; 72 } 73 74 inline void SetGlobalTime(const G4double& time) 75 { 76 fGlobalTime = time; 77 78 if(fGlobalTime - fEquilibriumTime > fEquilibriumDuration && fAddEquilibrium) 79 { 80 fAddEquilibrium = false; 81 if(fVerbose) { 82 G4cout << "SetEquilibrium : off " << fRectionType 83 << " fGlobalTime : " << G4BestUnit(fGlobalTime, "Time") 84 << " fEquilibriumTime8 : " << G4BestUnit(fEquilibriumTime, "Time") 85 << " fAddEquilibrium : " << fAddEquilibrium << G4endl; 86 } 87 } 88 } 89 void SetEquilibrium(Reaction pReaction); 90 91 inline G4bool GetEquilibriumStatus() const 92 { 93 return fAddEquilibrium; 94 } 95 96 void PrintInfo() const; 97 private: 98 G4bool fStatus = false; 99 G4bool fAddEquilibrium = false; 100 G4double fEquilibriumTime = 0; 101 const G4double fEquilibriumDuration = 0; 102 G4int fRectionType = 0; 103 MolType fReactant1 = nullptr; 104 MolType fReactant2 = nullptr; 105 MolType fReactantB1 = nullptr; 106 MolType fReactantB2 = nullptr; 107 G4double fGlobalTime = 0; 108 G4int fVerbose = 1; 109 }; 110 111 #endif // 112