G4DNASancheExcitationModel.cc

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// $Id: G4DNASancheExcitationModel.cc 70171 2013-05-24 13:34:18Z gcosmo $
//

// Created by Z. Francis

#include "G4DNASancheExcitationModel.hh"
#include "G4SystemOfUnits.hh"
#include "G4DNAMolecularMaterial.hh"

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using namespace std;

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G4DNASancheExcitationModel::G4DNASancheExcitationModel(const G4ParticleDefinition*,
                                                       const G4String& nam)
    :G4VEmModel(nam),isInitialised(false)
{
    //  nistwater = G4NistManager::Instance()->FindOrBuildMaterial("G4_WATER");
    fpWaterDensity = 0;

    lowEnergyLimit = 2 * eV;
    highEnergyLimit = 100 * eV;
    SetLowEnergyLimit(lowEnergyLimit);
    SetHighEnergyLimit(highEnergyLimit);
    nLevels = 9;

    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 << "Sanche Excitation model is constructed " << G4endl
               << "Energy range: "
               << lowEnergyLimit / eV << " eV - "
               << highEnergyLimit / eV << " eV"
               << G4endl;
    }
    fParticleChangeForGamma = 0;
    fpWaterDensity = 0;
}

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G4DNASancheExcitationModel::~G4DNASancheExcitationModel()
{}

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void G4DNASancheExcitationModel::Initialise(const G4ParticleDefinition* /*particle*/,
                                            const G4DataVector& /*cuts*/)
{


    if (verboseLevel > 3)
        G4cout << "Calling G4DNASancheExcitationModel::Initialise()" << G4endl;

    // Energy limits

    if (LowEnergyLimit() < lowEnergyLimit)
    {
        G4cout << "G4DNASancheExcitationModel: low energy limit increased from " <<
                  LowEnergyLimit()/eV << " eV to " << lowEnergyLimit/eV << " eV" << G4endl;
        SetLowEnergyLimit(lowEnergyLimit);
    }

    if (HighEnergyLimit() > highEnergyLimit)
    {
        G4cout << "G4DNASancheExcitationModel: high energy limit decreased from " <<
                  HighEnergyLimit()/eV << " eV to " << highEnergyLimit/eV << " eV" << G4endl;
        SetHighEnergyLimit(highEnergyLimit);
    }

    //

    if (verboseLevel > 0)
    {
        G4cout << "Sanche Excitation model is initialized " << G4endl
               << "Energy range: "
               << LowEnergyLimit() / eV << " eV - "
               << HighEnergyLimit() / eV << " eV"
               << G4endl;
    }

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

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

    char *path = getenv("G4LEDATA");
    std::ostringstream eFullFileName;
    eFullFileName << path << "/dna/sigma_excitationvib_e_sanche.dat";
    std::ifstream input(eFullFileName.str().c_str());

    if (!input)
    {
        G4Exception("G4DNASancheExcitationModel::Initialise","em0003",
                    FatalException,"Missing data file:/dna/sigma_excitationvib_e_sanche.dat");
    }

    while(!input.eof())
    {
        double t;
        input>>t;
        tdummyVec.push_back(t);
        input>>map1[t][0]>>map1[t][1]>>map1[t][2]>>map1[t][3]>>map1[t][4]>>map1[t][5]>>map1[t][6]>>map1[t][7]>>map1[t][8];
        //G4cout<<t<<"  "<<map1[t][0]<<map1[t][1]<<map1[t][2]<<map1[t][3]<<map1[t][4]<<map1[t][5]<<map1[t][6]<<map1[t][7]<<map1[t][8]<<G4endl;
    }
}

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G4double G4DNASancheExcitationModel::CrossSectionPerVolume(const G4Material* material, 
                                                           const G4ParticleDefinition* particleDefinition,
                                                           G4double ekin,
                                                           G4double,
                                                           G4double)
{
    if (verboseLevel > 3)
        G4cout << "Calling CrossSectionPerVolume() of G4DNASancheExcitationModel" << G4endl;

    // Calculate total cross section for model

    G4double sigma=0;

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

    if(waterDensity!= 0.0)
        //  if (material == nistwater || material->GetBaseMaterial() == nistwater)
    {

        if (particleDefinition == G4Electron::ElectronDefinition())
        {
            if (ekin >= lowEnergyLimit && ekin < highEnergyLimit)
            {
                sigma = Sum(ekin);
            }
        }

        if (verboseLevel > 2)
        {
            G4cout << "__________________________________" << G4endl;
            G4cout << "°°° G4DNASancheExcitationModel - XS INFO START" << G4endl;
            G4cout << "°°° Kinetic energy(eV)=" << ekin/eV << " particle : " << particleDefinition->GetParticleName() << 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 << "°°° G4DNASancheExcitationModel - XS INFO END" << G4endl;
        }

    } // if water


    //  return sigma*2*material->GetAtomicNumDensityVector()[1];
    return sigma*2*waterDensity;
    // see papers for factor 2 description

}

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void G4DNASancheExcitationModel::SampleSecondaries(std::vector<G4DynamicParticle*>*,
                                                   const G4MaterialCutsCouple*,
                                                   const G4DynamicParticle* aDynamicElectron,
                                                   G4double,
                                                   G4double)
{

    if (verboseLevel > 3)
        G4cout << "Calling SampleSecondaries() of G4DNASancheExcitationModel" << G4endl;

    G4double electronEnergy0 = aDynamicElectron->GetKineticEnergy();
    G4int level = RandomSelect(electronEnergy0);
    G4double excitationEnergy = VibrationEnergy(level); // levels go from 0 to 8
    G4double newEnergy = electronEnergy0 - excitationEnergy;

    /*
  if (electronEnergy0 < highEnergyLimit)
  {
    if (newEnergy >= lowEnergyLimit)
    {
      fParticleChangeForGamma->ProposeMomentumDirection(aDynamicElectron->GetMomentumDirection());
      fParticleChangeForGamma->SetProposedKineticEnergy(newEnergy);
      fParticleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
    }

    else
    {
      fParticleChangeForGamma->ProposeTrackStatus(fStopAndKill);
      fParticleChangeForGamma->ProposeLocalEnergyDeposit(electronEnergy0);
    }
  }
*/

    if (electronEnergy0 < highEnergyLimit && newEnergy>0.)
    {
        fParticleChangeForGamma->ProposeMomentumDirection(aDynamicElectron->GetMomentumDirection());
        fParticleChangeForGamma->SetProposedKineticEnergy(newEnergy);
        fParticleChangeForGamma->ProposeLocalEnergyDeposit(excitationEnergy);
    }

    //
}

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G4double G4DNASancheExcitationModel::PartialCrossSection(G4double t, G4int level)
{
    std::vector<double>::iterator t2 = std::upper_bound(tdummyVec.begin(),tdummyVec.end(), t/eV);
    std::vector<double>::iterator t1 = t2-1;

    double sigma = LinInterpolate((*t1), (*t2), t/eV, map1[*t1][level], map1[*t2][level]);
    sigma*=1e-16*cm*cm;
    if(sigma==0.)sigma=1e-30;
    return (sigma);
}

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G4double G4DNASancheExcitationModel::VibrationEnergy(G4int level)
{
    G4double energies[9] = {0.01, 0.024, 0.061, 0.092, 0.204, 0.417, 0.460, 0.500, 0.835};
    return(energies[level]*eV);
}

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G4int G4DNASancheExcitationModel::RandomSelect(G4double k)
{

    // Level Selection Counting can be done here !

    G4int i = nLevels;
    G4double value = 0.;
    std::deque<double> values;

    while (i > 0)
    {
        i--;
        G4double partial = PartialCrossSection(k,i);
        values.push_front(partial);
        value += partial;
    }

    value *= G4UniformRand();
    
    i = nLevels;

    while (i > 0)
    {
        i--;
        if (values[i] > value)
        {
            //outcount<<i<<"  "<<VibrationEnergy(i)<<G4endl;
            return i;
        }
        value -= values[i];
    }

    //outcount<<0<<"  "<<VibrationEnergy(0)<<G4endl;

    return 0;
}

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G4double G4DNASancheExcitationModel::Sum(G4double k)
{
    G4double totalCrossSection = 0.;

    for (G4int i=0; i<nLevels; i++)
    {
        totalCrossSection += PartialCrossSection(k,i);
    }
    return totalCrossSection;
}

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G4double G4DNASancheExcitationModel::LinInterpolate(G4double e1, 
                                                    G4double e2,
                                                    G4double e,
                                                    G4double xs1,
                                                    G4double xs2)
{
    G4double a = (xs2 - xs1) / (e2 - e1);
    G4double b = xs2 - a*e2;
    G4double value = a*e + b;
    // G4cout<<"interP >>  "<<e1<<"  "<<e2<<"  "<<e<<"  "<<xs1<<"  "<<xs2<<"  "<<a<<"  "<<b<<"  "<<value<<G4endl;

    return value;
}