G4DNAChampionElasticModel.cc

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// $Id: G4DNAChampionElasticModel.cc 87375 2014-12-02 08:17:28Z gcosmo $
//

#include "G4DNAChampionElasticModel.hh"
#include "G4PhysicalConstants.hh"
#include "G4SystemOfUnits.hh"
#include "G4DNAMolecularMaterial.hh"

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using namespace std;

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G4DNAChampionElasticModel::G4DNAChampionElasticModel(const G4ParticleDefinition*,
                                                     const G4String& nam) :
    G4VEmModel(nam), isInitialised(false)
{
//  nistwater = G4NistManager::Instance()->FindOrBuildMaterial("G4_WATER");

  killBelowEnergy = 7.4 * eV;
  lowEnergyLimit = 0 * eV;
  highEnergyLimit = 1. * MeV;
  SetLowEnergyLimit(lowEnergyLimit);
  SetHighEnergyLimit(highEnergyLimit);

  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 << "Champion Elastic model is constructed " << G4endl<< "Energy range: "
    << lowEnergyLimit / eV << " eV - "
    << highEnergyLimit / MeV << " MeV"
    << G4endl;
  }
  fParticleChangeForGamma = 0;
  fpMolWaterDensity = 0;
}

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G4DNAChampionElasticModel::~G4DNAChampionElasticModel()
{
  // For total 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;
  }

  // For final state

  eVecm.clear();

}

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void G4DNAChampionElasticModel::Initialise(const G4ParticleDefinition* /*particle*/,
                                           const G4DataVector& /*cuts*/)
{

  if (verboseLevel > 3)
  G4cout << "Calling G4DNAChampionElasticModel::Initialise()" << G4endl;

  // Energy limits

  if (LowEnergyLimit() < lowEnergyLimit)
  {
    G4cout << "G4DNAChampionElasticModel: low energy limit increased from " <<
    LowEnergyLimit()/eV << " eV to " << lowEnergyLimit/eV << " eV" << G4endl;
    SetLowEnergyLimit(lowEnergyLimit);
  }

  if (HighEnergyLimit() > highEnergyLimit)
  {
    G4cout << "G4DNAChampionElasticModel: high energy limit decreased from " <<
    HighEnergyLimit()/MeV << " MeV to " << highEnergyLimit/MeV << " MeV" << G4endl;
    SetHighEnergyLimit(highEnergyLimit);
  }

  // Reading of data files 

  G4double scaleFactor = 1e-16*cm*cm;

  G4String fileElectron("dna/sigma_elastic_e_champion");

  G4ParticleDefinition* electronDef = G4Electron::ElectronDefinition();
  G4String electron;

  // *** ELECTRON

  // For total cross section

  electron = electronDef->GetParticleName();

  tableFile[electron] = fileElectron;

  G4DNACrossSectionDataSet* tableE =
      new G4DNACrossSectionDataSet(new G4LogLogInterpolation, eV,scaleFactor );
  tableE->LoadData(fileElectron);
  tableData[electron] = tableE;

  // For final state

  char *path = getenv("G4LEDATA");

  if (!path)
  {
    G4Exception("G4ChampionElasticModel::Initialise","em0006",
        FatalException,"G4LEDATA environment variable not set.");
    return;
  }

  std::ostringstream eFullFileName;
  eFullFileName << path << "/dna/sigmadiff_cumulated_elastic_e_champion_hp.dat";
  std::ifstream eDiffCrossSection(eFullFileName.str().c_str());

  if (!eDiffCrossSection)
  G4Exception("G4DNAChampionElasticModel::Initialise","em0003",
      FatalException,
      "Missing data file:/dna/sigmadiff_cumulated_elastic_e_champion_hp.dat; please use G4EMLOW6.36 and above.");

  // March 25th, 2014 - Vaclav Stepan, Sebastien Incerti
  // Added clear for MT

  eTdummyVec.clear();
  eVecm.clear();
  eDiffCrossSectionData.clear();

  //

  eTdummyVec.push_back(0.);

  while(!eDiffCrossSection.eof())
  {
    double tDummy;
    double eDummy;
    eDiffCrossSection>>tDummy>>eDummy;

    // SI : mandatory eVecm initialization

    if (tDummy != eTdummyVec.back())
    {
      eTdummyVec.push_back(tDummy);
      eVecm[tDummy].push_back(0.);
    }

    eDiffCrossSection>>eDiffCrossSectionData[tDummy][eDummy];

    if (eDummy != eVecm[tDummy].back()) eVecm[tDummy].push_back(eDummy);

  }

  // End final state

  if (verboseLevel > 2)
  G4cout << "Loaded cross section files for Champion Elastic model" << G4endl;

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

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

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

}

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G4double G4DNAChampionElasticModel::CrossSectionPerVolume(const G4Material* material,
                                                          const G4ParticleDefinition* p,
                                                          G4double ekin,
                                                          G4double,
                                                          G4double)
{
  if (verboseLevel > 3)
  G4cout << "Calling CrossSectionPerVolume() of G4DNAChampionElasticModel"
  << G4endl;

  // Calculate total cross section for model

  G4double sigma=0;

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

  if(waterDensity!= 0.0)
//  if (material == nistwater || material->GetBaseMaterial() == nistwater)
  {
    const G4String& particleName = p->GetParticleName();

    if (ekin < highEnergyLimit)
    {
      //SI : XS must not be zero otherwise sampling of secondaries method ignored
      if (ekin < killBelowEnergy) return DBL_MAX;
      //      

      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("G4DNAChampionElasticModel::ComputeCrossSectionPerVolume","em0002",
            FatalException,"Model not applicable to particle type.");
      }
    }

    if (verboseLevel > 2)
    {
      G4cout << "__________________________________" << G4endl;
      G4cout << "=== G4DNAChampionElasticModel - 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 << "=== G4DNAChampionElasticModel - XS INFO END" << G4endl;
    }

  }

  return sigma*waterDensity;
// return sigma*material->GetAtomicNumDensityVector()[1];
}

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void G4DNAChampionElasticModel::SampleSecondaries(std::vector<G4DynamicParticle*>* /*fvect*/,
                                                  const G4MaterialCutsCouple* /*couple*/,
                                                  const G4DynamicParticle* aDynamicElectron,
                                                  G4double,
                                                  G4double)
{

  if (verboseLevel > 3)
  G4cout << "Calling SampleSecondaries() of G4DNAChampionElasticModel" << G4endl;

  G4double electronEnergy0 = aDynamicElectron->GetKineticEnergy();

  if (electronEnergy0 < killBelowEnergy)
  {
    fParticleChangeForGamma->SetProposedKineticEnergy(0.);
    fParticleChangeForGamma->ProposeTrackStatus(fStopAndKill);
    fParticleChangeForGamma->ProposeLocalEnergyDeposit(electronEnergy0);
    return;
  }

  if (electronEnergy0>= killBelowEnergy && electronEnergy0 < highEnergyLimit)
  {

    G4double cosTheta = RandomizeCosTheta(electronEnergy0);

    G4double phi = 2. * pi * G4UniformRand();

    G4ThreeVector zVers = aDynamicElectron->GetMomentumDirection();
    G4ThreeVector xVers = zVers.orthogonal();
    G4ThreeVector yVers = zVers.cross(xVers);

    G4double xDir = std::sqrt(1. - cosTheta*cosTheta);
    G4double yDir = xDir;
    xDir *= std::cos(phi);
    yDir *= std::sin(phi);

    G4ThreeVector zPrimeVers((xDir*xVers + yDir*yVers + cosTheta*zVers));

    fParticleChangeForGamma->ProposeMomentumDirection(zPrimeVers.unit());

    fParticleChangeForGamma->SetProposedKineticEnergy(electronEnergy0);
  }

}

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G4double G4DNAChampionElasticModel::Theta(G4ParticleDefinition * particleDefinition,
                                          G4double k,
                                          G4double integrDiff)
{
  G4double theta = 0.;
  G4double valueT1 = 0;
  G4double valueT2 = 0;
  G4double valueE21 = 0;
  G4double valueE22 = 0;
  G4double valueE12 = 0;
  G4double valueE11 = 0;
  G4double xs11 = 0;
  G4double xs12 = 0;
  G4double xs21 = 0;
  G4double xs22 = 0;

  if (particleDefinition == G4Electron::ElectronDefinition())
  {
    std::vector<double>::iterator t2 = std::upper_bound(eTdummyVec.begin(),
                                                        eTdummyVec.end(), k);
    std::vector<double>::iterator t1 = t2 - 1;

    std::vector<double>::iterator e12 = std::upper_bound(eVecm[(*t1)].begin(),
                                                         eVecm[(*t1)].end(),
                                                         integrDiff);
    std::vector<double>::iterator e11 = e12 - 1;

    std::vector<double>::iterator e22 = std::upper_bound(eVecm[(*t2)].begin(),
                                                         eVecm[(*t2)].end(),
                                                         integrDiff);
    std::vector<double>::iterator e21 = e22 - 1;

    valueT1 = *t1;
    valueT2 = *t2;
    valueE21 = *e21;
    valueE22 = *e22;
    valueE12 = *e12;
    valueE11 = *e11;

    xs11 = eDiffCrossSectionData[valueT1][valueE11];
    xs12 = eDiffCrossSectionData[valueT1][valueE12];
    xs21 = eDiffCrossSectionData[valueT2][valueE21];
    xs22 = eDiffCrossSectionData[valueT2][valueE22];
  }

  if (xs11 == 0 && xs12 == 0 && xs21 == 0 && xs22 == 0) return (0.);

  theta = QuadInterpolator(valueE11, valueE12, valueE21, valueE22, xs11, xs12,
                           xs21, xs22, valueT1, valueT2, k, integrDiff);

  return theta;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....

G4double G4DNAChampionElasticModel::LinLogInterpolate(G4double e1,
                                                      G4double e2,
                                                      G4double e,
                                                      G4double xs1,
                                                      G4double xs2)
{
  G4double d1 = std::log(xs1);
  G4double d2 = std::log(xs2);
  G4double value = std::exp(d1 + (d2 - d1) * (e - e1) / (e2 - e1));
  return value;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....

G4double G4DNAChampionElasticModel::LinLinInterpolate(G4double e1,
                                                      G4double e2,
                                                      G4double e,
                                                      G4double xs1,
                                                      G4double xs2)
{
  G4double d1 = xs1;
  G4double d2 = xs2;
  G4double value = (d1 + (d2 - d1) * (e - e1) / (e2 - e1));
  return value;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....

G4double G4DNAChampionElasticModel::LogLogInterpolate(G4double e1,
                                                      G4double e2,
                                                      G4double e,
                                                      G4double xs1,
                                                      G4double xs2)
{
  G4double a = (std::log10(xs2) - std::log10(xs1))
      / (std::log10(e2) - std::log10(e1));
  G4double b = std::log10(xs2) - a * std::log10(e2);
  G4double sigma = a * std::log10(e) + b;
  G4double value = (std::pow(10., sigma));
  return value;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....

G4double G4DNAChampionElasticModel::QuadInterpolator(G4double e11,
                                                     G4double e12,
                                                     G4double e21,
                                                     G4double e22,
                                                     G4double xs11,
                                                     G4double xs12,
                                                     G4double xs21,
                                                     G4double xs22,
                                                     G4double t1,
                                                     G4double t2,
                                                     G4double t,
                                                     G4double e)
{
  // Log-Log
  /*
   G4double interpolatedvalue1 = LogLogInterpolate(e11, e12, e, xs11, xs12);
   G4double interpolatedvalue2 = LogLogInterpolate(e21, e22, e, xs21, xs22);
   G4double value = LogLogInterpolate(t1, t2, t, interpolatedvalue1, interpolatedvalue2);


   // Lin-Log
   G4double interpolatedvalue1 = LinLogInterpolate(e11, e12, e, xs11, xs12);
   G4double interpolatedvalue2 = LinLogInterpolate(e21, e22, e, xs21, xs22);
   G4double value = LinLogInterpolate(t1, t2, t, interpolatedvalue1, interpolatedvalue2);
   */

  // Lin-Lin
  G4double interpolatedvalue1 = LinLinInterpolate(e11, e12, e, xs11, xs12);
  G4double interpolatedvalue2 = LinLinInterpolate(e21, e22, e, xs21, xs22);
  G4double value = LinLinInterpolate(t1, t2, t, interpolatedvalue1,
                                     interpolatedvalue2);

  return value;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....

G4double G4DNAChampionElasticModel::RandomizeCosTheta(G4double k)
{

  G4double integrdiff = 0;
  G4double uniformRand = G4UniformRand();
  integrdiff = uniformRand;

  G4double theta = 0.;
  G4double cosTheta = 0.;
  theta = Theta(G4Electron::ElectronDefinition(), k / eV, integrdiff);

  cosTheta = std::cos(theta * pi / 180);

  return cosTheta;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....

void G4DNAChampionElasticModel::SetKillBelowThreshold(G4double threshold)
{
  killBelowEnergy = threshold;

  if (threshold < 7.4 * eV)
  {
    G4cout<< "*** WARNING : the G4DNAChampionElasticModel class is not "
        "activated below 7.4 eV !" << G4endl;
    G4cout<< "*** NOTE: if you are using G4EmDNAChemistry, do not worry, this is"
        " the expected behavior" << G4endl;
  }
}