Gabriele Cosmo
422 lines
13 KiB
C++
422 lines
13 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 Z. Francis
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#include "G4DNASancheExcitationModel.hh"
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#include "G4SystemOfUnits.hh"
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#include "G4DNAMolecularMaterial.hh"
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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using namespace std;
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//#define SANCHE_VERBOSE
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4DNASancheExcitationModel::G4DNASancheExcitationModel(const G4ParticleDefinition*,
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const G4String& nam) :
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G4VEmModel(nam)
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{
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fpWaterDensity = nullptr;
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SetLowEnergyLimit(2.*eV);
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SetHighEnergyLimit(100*eV);
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nLevels = 9;
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verboseLevel = 0;
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// Verbosity scale:
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// 0 = nothing
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// 1 = warning for energy non-conservation
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// 2 = details of energy budget
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// 3 = calculation of cross sections, file openings, sampling of atoms
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// 4 = entering in methods
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#ifdef SANCHE_VERBOSE
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if (verboseLevel > 0)
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{
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G4cout << "Sanche Excitation model is constructed "
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<< G4endl
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<< "Energy range: "
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<< LowEnergyLimit() / eV << " eV - "
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<< HighEnergyLimit() / eV << " eV"
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<< G4endl;
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}
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#endif
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fParticleChangeForGamma = nullptr;
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fpWaterDensity = nullptr;
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// Selection of stationary mode
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statCode = false;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4DNASancheExcitationModel::~G4DNASancheExcitationModel()
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= default;
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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void
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G4DNASancheExcitationModel::
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Initialise(const G4ParticleDefinition* /*particle*/,
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const G4DataVector& /*cuts*/)
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{
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#ifdef SANCHE_VERBOSE
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if (verboseLevel > 3)
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{
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G4cout << "Calling G4DNASancheExcitationModel::Initialise()"
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<< G4endl;
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}
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#endif
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// Energy limits
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if (LowEnergyLimit() < 2.*eV)
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{
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G4Exception("*** WARNING : the G4DNASancheExcitationModel class is not "
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"validated below 2 eV !",
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"", JustWarning, "");
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}
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if (HighEnergyLimit() > 100.*eV)
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{
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G4cout << "G4DNASancheExcitationModel: high energy limit decreased from " <<
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HighEnergyLimit()/eV << " eV to " << 100. << " eV" << G4endl;
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SetHighEnergyLimit(100.*eV);
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}
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//
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#ifdef SANCHE_VERBOSE
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if (verboseLevel > 0)
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{
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G4cout << "Sanche Excitation model is initialized " << G4endl
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<< "Energy range: "
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<< LowEnergyLimit() / eV << " eV - "
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<< HighEnergyLimit() / eV << " eV"
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<< G4endl;
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}
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#endif
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// Initialize water density pointer
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fpWaterDensity = G4DNAMolecularMaterial::Instance()->
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GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));
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if (isInitialised) {return;}
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fParticleChangeForGamma = GetParticleChangeForGamma();
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isInitialised = true;
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const char *path = G4FindDataDir("G4LEDATA");
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std::ostringstream eFullFileName;
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eFullFileName << path << "/dna/sigma_excitationvib_e_sanche.dat";
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std::ifstream input(eFullFileName.str().c_str());
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if (!input)
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{
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G4Exception("G4DNASancheExcitationModel::Initialise","em0003",
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FatalException,"Missing data file:/dna/sigma_excitationvib_e_sanche.dat");
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}
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// March 25th, 2014 - Vaclav Stepan, Sebastien Incerti
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// Added clear for MT
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tdummyVec.clear();
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//
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G4double t;
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G4double xs;
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while(!input.eof())
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{
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input>>t;
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tdummyVec.push_back(t);
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fEnergyLevelXS.emplace_back();
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fEnergyTotalXS.push_back(0);
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std::vector<G4double>& levelXS = fEnergyLevelXS.back();
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levelXS.reserve(9);
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// G4cout<<t;
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for(size_t i = 0 ; i < 9 ;++i)
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{
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input>>xs;
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levelXS.push_back(xs);
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fEnergyTotalXS.back() += xs;
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// G4cout <<" " << levelXS[i];
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}
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// G4cout << G4endl;
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}
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4double G4DNASancheExcitationModel::CrossSectionPerVolume(const G4Material* material,
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const G4ParticleDefinition*
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#ifdef SANCHE_VERBOSE
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particleDefinition
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#endif
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,
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G4double ekin,
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G4double,
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G4double)
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{
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#ifdef SANCHE_VERBOSE
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if (verboseLevel > 3)
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{
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G4cout << "Calling CrossSectionPerVolume() of G4DNASancheExcitationModel"
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<< G4endl;
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}
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#endif
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// Calculate total cross section for model
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G4double sigma = 0.;
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G4double waterDensity = (*fpWaterDensity)[material->GetIndex()];
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if (ekin >= LowEnergyLimit() && ekin <= HighEnergyLimit())
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sigma = TotalCrossSection(ekin);
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#ifdef SANCHE_VERBOSE
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if (verboseLevel > 2)
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{
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G4cout << "__________________________________" << G4endl;
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G4cout << "=== G4DNASancheExcitationModel - XS INFO START" << G4endl;
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G4cout << "=== Kinetic energy(eV)=" << ekin/eV << " particle : " << particleDefinition->GetParticleName() << G4endl;
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G4cout << "=== Cross section per water molecule (cm^2)=" << sigma/cm/cm << G4endl;
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G4cout << "=== Cross section per water molecule (cm^-1)=" << sigma*waterDensity/(1./cm) << G4endl;
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G4cout << "=== G4DNASancheExcitationModel - XS INFO END" << G4endl;
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}
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#endif
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return sigma*2.*waterDensity;
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// see papers for factor 2 description (liquid phase)
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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void G4DNASancheExcitationModel::SampleSecondaries(std::vector<
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G4DynamicParticle*>*,
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const G4MaterialCutsCouple*,
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const G4DynamicParticle* aDynamicElectron,
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G4double,
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G4double)
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{
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#ifdef SANCHE_VERBOSE
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if (verboseLevel > 3)
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{
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G4cout << "Calling SampleSecondaries() of G4DNASancheExcitationModel"
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<< G4endl;
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}
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#endif
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G4double electronEnergy0 = aDynamicElectron->GetKineticEnergy();
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G4int level = RandomSelect(electronEnergy0);
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G4double excitationEnergy = VibrationEnergy(level); // levels go from 0 to 8
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G4double newEnergy = electronEnergy0 - excitationEnergy;
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/*
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if (electronEnergy0 < highEnergyLimit)
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{
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if (newEnergy >= lowEnergyLimit)
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{
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fParticleChangeForGamma->ProposeMomentumDirection(aDynamicElectron->GetMomentumDirection());
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fParticleChangeForGamma->SetProposedKineticEnergy(newEnergy);
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fParticleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
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}
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else
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{
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fParticleChangeForGamma->ProposeTrackStatus(fStopAndKill);
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fParticleChangeForGamma->ProposeLocalEnergyDeposit(electronEnergy0);
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}
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}
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*/
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if (electronEnergy0 <= HighEnergyLimit() && newEnergy>0.)
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{
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if (!statCode)
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{
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fParticleChangeForGamma->ProposeMomentumDirection(aDynamicElectron->GetMomentumDirection());
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fParticleChangeForGamma->SetProposedKineticEnergy(newEnergy);
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fParticleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
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}
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else
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{
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fParticleChangeForGamma->ProposeMomentumDirection(aDynamicElectron->GetMomentumDirection());
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fParticleChangeForGamma->SetProposedKineticEnergy(electronEnergy0);
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fParticleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
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}
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}
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//
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4double G4DNASancheExcitationModel::PartialCrossSection(G4double t,
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G4int level)
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{
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// Protection against out of boundary access
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if (t/eV==tdummyVec.back()) t=t*(1.-1e-12);
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//
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auto t2 = std::upper_bound(tdummyVec.begin(),
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tdummyVec.end(), t / eV);
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auto t1 = t2 - 1;
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size_t i1 = t1 - tdummyVec.begin();
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size_t i2 = t2 - tdummyVec.begin();
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G4double sigma = LinInterpolate((*t1), (*t2),
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t / eV,
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fEnergyLevelXS[i1][level],
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fEnergyLevelXS[i2][level]);
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static const G4double conv_factor = 1e-16 * cm * cm;
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sigma *= conv_factor;
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if (sigma == 0.) sigma = 1e-30;
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return (sigma);
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4double G4DNASancheExcitationModel::TotalCrossSection(G4double t)
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{
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// Protection against out of boundary access
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if (t/eV==tdummyVec.back()) t=t*(1.-1e-12);
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//
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auto t2 = std::upper_bound(tdummyVec.begin(),
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tdummyVec.end(), t / eV);
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auto t1 = t2 - 1;
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size_t i1 = t1 - tdummyVec.begin();
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size_t i2 = t2 - tdummyVec.begin();
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G4double sigma = LinInterpolate((*t1), (*t2),
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t / eV,
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fEnergyTotalXS[i1],
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fEnergyTotalXS[i2]);
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static const G4double conv_factor = 1e-16 * cm * cm;
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sigma *= conv_factor;
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if (sigma == 0.) sigma = 1e-30;
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return (sigma);
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4double G4DNASancheExcitationModel::VibrationEnergy(G4int level)
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{
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static G4double energies[9] = { 0.01, 0.024, 0.061, 0.092, 0.204, 0.417, 0.460,
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0.500, 0.835 };
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return (energies[level] * eV);
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4int G4DNASancheExcitationModel::RandomSelect(G4double k)
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{
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// Level Selection Counting can be done here !
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G4int i = nLevels;
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G4double value = 0.;
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std::deque<G4double> values;
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while (i > 0)
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{
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i--;
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G4double partial = PartialCrossSection(k, i);
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values.push_front(partial);
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value += partial;
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}
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value *= G4UniformRand();
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i = nLevels;
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while (i > 0)
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{
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i--;
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if (values[i] > value)
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{
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//outcount<<i<<" "<<VibrationEnergy(i)<<G4endl;
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return i;
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}
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value -= values[i];
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}
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//outcount<<0<<" "<<VibrationEnergy(0)<<G4endl;
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return 0;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4double G4DNASancheExcitationModel::Sum(G4double k)
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{
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G4double totalCrossSection = 0.;
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for (G4int i = 0; i < nLevels; i++)
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{
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totalCrossSection += PartialCrossSection(k, i);
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}
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return totalCrossSection;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4double G4DNASancheExcitationModel::LinInterpolate(G4double e1,
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G4double e2,
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G4double e,
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G4double xs1,
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G4double xs2)
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{
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G4double a = (xs2 - xs1) / (e2 - e1);
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G4double b = xs2 - a * e2;
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G4double value = a * e + b;
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// G4cout<<"interP >> "<<e1<<" "<<e2<<" "<<e<<" "
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// <<xs1<<" "<<xs2<<" "<<a<<" "<<b<<" "<<value<<G4endl;
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return value;
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}
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