Gabriele Cosmo
127 lines
4.7 KiB
C++
127 lines
4.7 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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//
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// Created by ngoc hoang tran on 03/08/2023.
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//
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#include "G4ChemEquilibrium.hh"
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#include "G4DNAMolecularReactionTable.hh"
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G4ChemEquilibrium::G4ChemEquilibrium(const G4int& type, const G4double& time)
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: fEquilibriumDuration(time), fRectionType(type)
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{}
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void G4ChemEquilibrium::Initialize()
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{
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MolType H2O =
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G4MoleculeTable::Instance()->GetConfiguration("H2O");
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MolType H3OpB =
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G4MoleculeTable::Instance()->GetConfiguration("H3Op(B)");
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MolType OHmB =
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G4MoleculeTable::Instance()->GetConfiguration("OHm(B)");
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const auto& reactionList = G4DNAMolecularReactionTable::Instance()->
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GetVectorOfReactionData();
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for(const auto& it : reactionList)
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{
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if(it->GetReactionType()==fRectionType)
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{
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if(it->GetReactant1() != H2O
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&& it->GetReactant1() != H3OpB
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&& it->GetReactant1() != OHmB)
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{
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fReactant1 = it->GetReactant1();
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fReactantB1 = it->GetReactant2();
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}else
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{
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fReactant1 = it->GetReactant2();
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fReactantB1 = it->GetReactant1();
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}
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for(const auto& itt : *(it->GetProducts()))
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{
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if(itt != H3OpB
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&& itt != OHmB)
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{
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fReactant2 = itt;
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}else
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{
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fReactantB2 = itt;
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}
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}
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if(fVerbose > 1) {
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G4cout << "Equilibrium processes(ID) " << fRectionType << " : " << fReactant1->GetName()
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<< " <=> " << fReactant2->GetName()
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<< " Time to Equilibrium : " << fEquilibriumDuration / CLHEP::us
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<< " Initial status : " << fAddEquilibrium << G4endl;
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}
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break ;
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}
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}
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}
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void G4ChemEquilibrium::PrintInfo() const
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{
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G4cout<<"Equilibrium reactions : "<<fReactant1->GetName()
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<<" + "<<fReactantB1->GetName()
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<<" <=> "<<fReactant2->GetName()
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<<" + "<<fReactantB2->GetName()
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<<" Status : "<<fAddEquilibrium
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<<" from "<<G4BestUnit(fEquilibriumTime,"Time")<<" to "
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<<G4BestUnit(fEquilibriumTime + fEquilibriumDuration,"Time")<<G4endl;
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}
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void G4ChemEquilibrium::SetEquilibrium(Reaction pReaction)
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{
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if(pReaction->GetReactionType() != fRectionType)
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{
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std::vector<MolType> molVector;
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molVector.push_back(pReaction->GetReactant1());
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molVector.push_back(pReaction->GetReactant2());
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const G4int nbProducts = pReaction->GetNbProducts();
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if (nbProducts) {
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for (G4int j = 0; j < nbProducts; ++j) {
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auto product = pReaction->GetProduct(j);
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molVector.push_back(product);
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}
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}
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for(const auto& it : molVector)
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{
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if(it == fReactant1 || it == fReactant2 )
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{
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fAddEquilibrium = true;
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fEquilibriumTime = fGlobalTime;
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if(fVerbose >1) {
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G4cout << "Reaction type : " << pReaction->GetReactionType() << " : "
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<< pReaction->GetReactant1()->GetName() << " + "
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<< pReaction->GetReactant2()->GetName() << G4endl;
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G4cout << "SetEquilibrium : on " << fRectionType << " fEquilibriumTime : "
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<< G4BestUnit(fEquilibriumTime, "Time")<<G4endl;
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}
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break;
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}
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}
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}
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} |