G4DNAEmfietzoglouExcitationModel.cc

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//
// Based on the work described in
// Rad Res 163, 98-111 (2005)
// D. Emfietzoglou, H. Nikjoo
// 
// Authors of the class (2014):
// I. Kyriakou (kyriak@cc.uoi.gr)
// D. Emfietzoglou (demfietz@cc.uoi.gr)
// S. Incerti (incerti@cenbg.in2p3.fr)
//

#include "G4DNAEmfietzoglouExcitationModel.hh"
#include "G4SystemOfUnits.hh"
#include "G4DNAChemistryManager.hh"
#include "G4DNAMolecularMaterial.hh"

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using namespace std;

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G4DNAEmfietzoglouExcitationModel::G4DNAEmfietzoglouExcitationModel(const G4ParticleDefinition*,
                                                   const G4String& nam)
    :G4VEmModel(nam),isInitialised(false)
{

    //  nistwater = G4NistManager::Instance()->FindOrBuildMaterial("G4_WATER");
    fpMolWaterDensity = 0;

    verboseLevel= 0;
    // Verbosity scale:
    // 0 = nothing
    // 1 = warning for energy non-conservation
    // 2 = details of energy budget
    // 3 = calculation of cross sections, file openings, sampling of atoms
    // 4 = entering in methods

    if( verboseLevel>0 )
    {
        G4cout << "Emfietzoglou excitation model is constructed " << G4endl;
    }
    fParticleChangeForGamma = 0;
    SetLowEnergyLimit(8. * eV);
    SetHighEnergyLimit(10. * keV);

    // Selection of stationary mode

    statCode = false;
}

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G4DNAEmfietzoglouExcitationModel::~G4DNAEmfietzoglouExcitationModel()
{ 
    // Cross section

    std::map< G4String,G4DNACrossSectionDataSet*,std::less<G4String> >::iterator pos;
    for (pos = tableData.begin(); pos != tableData.end(); ++pos)
    {
        G4DNACrossSectionDataSet* table = pos->second;
        delete table;
    }

}

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void G4DNAEmfietzoglouExcitationModel::Initialise(const G4ParticleDefinition* particle,
                                          const G4DataVector& /*cuts*/)
{

    if (verboseLevel > 3)
        G4cout << "Calling G4DNAEmfietzoglouExcitationModel::Initialise()" << G4endl;

    G4String fileElectron("dna/sigma_excitation_e_emfietzoglou");

    G4ParticleDefinition* electronDef = G4Electron::ElectronDefinition();

    G4String electron;

    G4double scaleFactor = (1.e-22 / 3.343) * m*m;

    // *** ELECTRON

    electron = electronDef->GetParticleName();

    tableFile[electron] = fileElectron;

    lowEnergyLimit[electron] = 8. * eV;
    highEnergyLimit[electron] = 10. * keV;

    // Cross section
    
    G4DNACrossSectionDataSet* tableE = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, eV,scaleFactor );
    tableE->LoadData(fileElectron);

    tableData[electron] = tableE;
    
    //

    if (particle==electronDef)
    {
        SetLowEnergyLimit(lowEnergyLimit[electron]);
        SetHighEnergyLimit(highEnergyLimit[electron]);
    }

    if( verboseLevel>0 )
    {
        G4cout << "Emfietzoglou excitation model is initialized " << G4endl
               << "Energy range: "
               << LowEnergyLimit() / eV << " eV - "
               << HighEnergyLimit() / keV << " keV for "
               << particle->GetParticleName()
               << G4endl;
    }

    // Initialize water density pointer
    fpMolWaterDensity = G4DNAMolecularMaterial::Instance()->GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));

    if (isInitialised) { return; }
    fParticleChangeForGamma = GetParticleChangeForGamma();
    isInitialised = true;
}

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G4double G4DNAEmfietzoglouExcitationModel::CrossSectionPerVolume(const G4Material* material,
                                                         const G4ParticleDefinition* particleDefinition,
                                                         G4double ekin,
                                                         G4double,
                                                         G4double)
{
    if (verboseLevel > 3)
        G4cout << "Calling CrossSectionPerVolume() of G4DNAEmfietzoglouExcitationModel" << G4endl;

    if (particleDefinition != G4Electron::ElectronDefinition()) return 0;

    // Calculate total cross section for model

    G4double lowLim = 0;
    G4double highLim = 0;
    G4double sigma=0;

    G4double waterDensity = (*fpMolWaterDensity)[material->GetIndex()];

    if(waterDensity!= 0.0)
    {
        const G4String& particleName = particleDefinition->GetParticleName();

        std::map< G4String,G4double,std::less<G4String> >::iterator pos1;
        pos1 = lowEnergyLimit.find(particleName);
        if (pos1 != lowEnergyLimit.end())
        {
            lowLim = pos1->second;
        }

        std::map< G4String,G4double,std::less<G4String> >::iterator pos2;
        pos2 = highEnergyLimit.find(particleName);
        if (pos2 != highEnergyLimit.end())
        {
            highLim = pos2->second;
        }

        if (ekin >= lowLim && ekin < highLim)
        {
            std::map< G4String,G4DNACrossSectionDataSet*,std::less<G4String> >::iterator pos;
            pos = tableData.find(particleName);

            if (pos != tableData.end())
            {
                G4DNACrossSectionDataSet* table = pos->second;
                if (table != 0)
                {
                    sigma = table->FindValue(ekin);
                }
            }
            else
            {
                G4Exception("G4DNAEmfietzoglouExcitationModel::CrossSectionPerVolume","em0002",
                            FatalException,"Model not applicable to particle type.");
            }
        }

        if (verboseLevel > 2)
        {
            G4cout << "__________________________________" << G4endl;
            G4cout << "G4DNAEmfietzoglouExcitationModel - XS INFO START" << G4endl;
            G4cout << "Kinetic energy(eV)=" << ekin/eV << " particle : " << particleName << G4endl;
            G4cout << "Cross section per water molecule (cm^2)=" << sigma/cm/cm << G4endl;
            G4cout << "Cross section per water molecule (cm^-1)=" << sigma*waterDensity/(1./cm) << G4endl;
            //      G4cout << "   Cross section per water molecule (cm^-1)=" << sigma*material->GetAtomicNumDensityVector()[1]/(1./cm) << G4endl;
            G4cout << "G4DNAEmfietzoglouExcitationModel - XS INFO END" << G4endl;
        }

    } // if (waterMaterial)

    return sigma*waterDensity;
}

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void G4DNAEmfietzoglouExcitationModel::SampleSecondaries(std::vector<G4DynamicParticle*>* /*fvect*/,
                                                 const G4MaterialCutsCouple* /*couple*/,
                                                 const G4DynamicParticle* aDynamicParticle,
                                                 G4double,
                                                 G4double)
{

    if (verboseLevel > 3)
        G4cout << "Calling SampleSecondaries() of G4DNAEmfietzoglouExcitationModel" << G4endl;

    G4double k = aDynamicParticle->GetKineticEnergy();

    const G4String& particleName = aDynamicParticle->GetDefinition()->GetParticleName();

    G4int level = RandomSelect(k,particleName);
    G4double excitationEnergy = waterStructure.ExcitationEnergy(level);
    G4double newEnergy = k - excitationEnergy;

    if (newEnergy > 0)
    {
        fParticleChangeForGamma->ProposeMomentumDirection(aDynamicParticle->GetMomentumDirection());

        if (!statCode) fParticleChangeForGamma->SetProposedKineticEnergy(newEnergy);
        else fParticleChangeForGamma->SetProposedKineticEnergy(k);

        fParticleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
    }

    const G4Track * theIncomingTrack = fParticleChangeForGamma->GetCurrentTrack();
    G4DNAChemistryManager::Instance()->CreateWaterMolecule(eExcitedMolecule,
                                                           level,
                                                           theIncomingTrack);
}

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G4int G4DNAEmfietzoglouExcitationModel::RandomSelect(G4double k, const G4String& particle)
{   
 
         G4int level = 0;

    std::map< G4String,G4DNACrossSectionDataSet*,std::less<G4String> >::iterator pos;
    pos = tableData.find(particle);

    if (pos != tableData.end())
    {
        G4DNACrossSectionDataSet* table = pos->second;

        if (table != 0)
        {
            G4double* valuesBuffer = new G4double[table->NumberOfComponents()];
            const size_t n(table->NumberOfComponents());
            size_t i(n);
            G4double value = 0.;

            //Check reading of initial xs file
        //G4cout << table->GetComponent(0)->FindValue(k)/ ((1.e-22 / 3.343) * m*m) << G4endl;
            //G4cout << table->GetComponent(1)->FindValue(k)/ ((1.e-22 / 3.343) * m*m) << G4endl;
            //G4cout << table->GetComponent(2)->FindValue(k)/ ((1.e-22 / 3.343) * m*m) << G4endl;
            //G4cout << table->GetComponent(3)->FindValue(k)/ ((1.e-22 / 3.343) * m*m) << G4endl;
            //G4cout << table->GetComponent(4)->FindValue(k)/ ((1.e-22 / 3.343) * m*m) << G4endl;
            //G4cout << table->GetComponent(5)->FindValue(k)/ ((1.e-22 / 3.343) * m*m) << G4endl;
            //G4cout << table->GetComponent(6)->FindValue(k)/ ((1.e-22 / 3.343) * m*m) << G4endl;
            //abort();
        
        while (i>0)
            {
                i--;
                valuesBuffer[i] = table->GetComponent(i)->FindValue(k);
                value += valuesBuffer[i];
            }

            value *= G4UniformRand();

            i = n;

            while (i > 0)
            {
                i--;

                if (valuesBuffer[i] > value)
                {
                    delete[] valuesBuffer;
                    return i;
                }
                value -= valuesBuffer[i];
            }

            if (valuesBuffer) delete[] valuesBuffer;

        }
    }
    else
    {
        G4Exception("G4DNAEmfietzoglouExcitationModel::RandomSelect","em0002",
                    FatalException,"Model not applicable to particle type.");
    }
    return level;
}