G4DNABornIonisationModel2.cc

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// $Id: G4DNABornIonisationModel2.cc 87631 2014-12-14 12:42:05Z matkara $
//

#include "G4DNABornIonisationModel2.hh"
#include "G4PhysicalConstants.hh"
#include "G4SystemOfUnits.hh"
#include "G4UAtomicDeexcitation.hh"
#include "G4LossTableManager.hh"
#include "G4DNAChemistryManager.hh"
#include "G4DNAMolecularMaterial.hh"
#include "G4DNABornAngle.hh"
#include "G4DeltaAngle.hh"
#include "G4Exp.hh"

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

using namespace std;

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

G4DNABornIonisationModel2::G4DNABornIonisationModel2(const G4ParticleDefinition*,
                                                     const G4String& nam) :
    G4VEmModel(nam), isInitialised(false)
{
  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 << "Born ionisation model is constructed " << G4endl;
  }

  // Mark this model as "applicable" for atomic deexcitation
  
  SetDeexcitationFlag(true);
  fAtomDeexcitation = 0;
  fParticleChangeForGamma = 0;
  fpMolWaterDensity = 0;
  fTableData = 0;
  fLowEnergyLimit = 0;
  fHighEnergyLimit = 0;
  fParticleDef = 0;

  // Define default angular generator
  
  SetAngularDistribution(new G4DNABornAngle());

  // Selection of computation method

  fasterCode = false;

  // Selection of stationary mode

  statCode = false;

  // Selection of SP scaling

  spScaling = true;
}

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

G4DNABornIonisationModel2::~G4DNABornIonisationModel2()
{
  // Cross section

  if (fTableData)
    delete fTableData;

  // Final state

  fVecm.clear();
}

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

void G4DNABornIonisationModel2::Initialise(const G4ParticleDefinition* particle,
                                           const G4DataVector& /*cuts*/)
{

  if (verboseLevel > 3)
  {
    G4cout << "Calling G4DNABornIonisationModel2::Initialise()" << G4endl;
  }

  if(fParticleDef != 0 && particle != fParticleDef)
  {
    G4ExceptionDescription description;
    description << "You are trying to initialized G4DNABornIonisationModel2 "
    "for particle "
    << particle->GetParticleName()
    << G4endl;
    description << "G4DNABornIonisationModel2 was already initiliased "
    "for particle:" << fParticleDef->GetParticleName() << G4endl;
    G4Exception("G4DNABornIonisationModel2::Initialise","bornIonInit",
        FatalException,description);
  }

  fParticleDef = particle;

  // Energy limits
  char *path = getenv("G4LEDATA");

  // ***

  G4String particleName = particle->GetParticleName();
  std::ostringstream fullFileName;
  fullFileName << path;

  if(particleName == "e-")
  {
    fTableFile = "dna/sigma_ionisation_e_born";
    fLowEnergyLimit = 11.*eV;
    fHighEnergyLimit = 1.*MeV;

    if (fasterCode)
    {
      fullFileName << "/dna/sigmadiff_cumulated_ionisation_e_born_hp.dat";
    }
    else
    {
      fullFileName << "/dna/sigmadiff_ionisation_e_born.dat";
    }
  }
  else if(particleName == "proton")
  {
    fTableFile = "dna/sigma_ionisation_p_born";
    fLowEnergyLimit = 500. * keV;
    fHighEnergyLimit = 100. * MeV;

    if (fasterCode)
    {
      fullFileName << "/dna/sigmadiff_cumulated_ionisation_p_born_hp.dat";
    }
    else
    {
      fullFileName << "/dna/sigmadiff_ionisation_p_born.dat";
    }
  }

  // Cross section
  
  G4double scaleFactor = (1.e-22 / 3.343) * m*m;
  fTableData = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, eV,scaleFactor );
  fTableData->LoadData(fTableFile);

  // Final state

  std::ifstream diffCrossSection(fullFileName.str().c_str());

  if (!diffCrossSection)
  {
    G4ExceptionDescription description;
    description << "Missing data file:" << G4endl << fullFileName.str() << G4endl;
    G4Exception("G4DNABornIonisationModel2::Initialise","em0003",
        FatalException,description);
  }

  // Clear the arrays for re-initialization case (MT mode)
  // March 25th, 2014 - Vaclav Stepan, Sebastien Incerti

  fTdummyVec.clear();
  fVecm.clear();

  for (int j=0; j<5; j++)
  {
    fProbaShellMap[j].clear();
    fDiffCrossSectionData[j].clear();
    fNrjTransfData[j].clear();
  }
  
  //

  fTdummyVec.push_back(0.);
  while(!diffCrossSection.eof())
  {
    G4double tDummy;
    G4double eDummy;
    diffCrossSection>>tDummy>>eDummy;
    if (tDummy != fTdummyVec.back()) fTdummyVec.push_back(tDummy);

    G4double tmp;
    for (int j=0; j<5; j++)
    {
      diffCrossSection>> tmp;

      fDiffCrossSectionData[j][tDummy][eDummy] = tmp;

      if (fasterCode)
      {
        fNrjTransfData[j][tDummy][fDiffCrossSectionData[j][tDummy][eDummy]]=eDummy;
        fProbaShellMap[j][tDummy].push_back(fDiffCrossSectionData[j][tDummy][eDummy]);
      }

      // SI - only if eof is not reached
      if (!diffCrossSection.eof() && !fasterCode) fDiffCrossSectionData[j][tDummy][eDummy]*=scaleFactor;

      if (!fasterCode) fVecm[tDummy].push_back(eDummy);

    }
  }

  //
  SetLowEnergyLimit(fLowEnergyLimit);
  SetHighEnergyLimit(fHighEnergyLimit);

  if( verboseLevel>0 )
  {
    G4cout << "Born ionisation 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"));

  // AD
  
  fAtomDeexcitation = G4LossTableManager::Instance()->AtomDeexcitation();

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

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

G4double G4DNABornIonisationModel2::CrossSectionPerVolume(const G4Material* material,
                                                          const G4ParticleDefinition* particleDefinition,
                                                          G4double ekin,
                                                          G4double,
                                                          G4double)
{
  if (verboseLevel > 3)
  {
    G4cout << "Calling CrossSectionPerVolume() of G4DNABornIonisationModel2"
        << G4endl;
  }

  if (particleDefinition != fParticleDef) return 0;

  // Calculate total cross section for model

  G4double sigma=0;

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

  if(waterDensity!= 0.0)
  {
    if (ekin >= fLowEnergyLimit && ekin < fHighEnergyLimit)
    {
      sigma = fTableData->FindValue(ekin);
          
      // ICRU49 electronic SP scaling - ZF, SI

      if (particleDefinition == G4Proton::ProtonDefinition() && ekin < 70*MeV && spScaling)
      {
        G4double A = 1.39241700556072800000E-009 ;
        G4double B = -8.52610412942622630000E-002 ;
        sigma = sigma * G4Exp(A*(ekin/eV)+B);
      }
      //
    }

    if (verboseLevel > 2)
    {
      G4cout << "__________________________________" << G4endl;
      G4cout << "G4DNABornIonisationModel2 - 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 << "G4DNABornIonisationModel2 - XS INFO END" << G4endl;
    }
  } // if (waterMaterial)

  return sigma*waterDensity;
}

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

void G4DNABornIonisationModel2::SampleSecondaries(std::vector<G4DynamicParticle*>* fvect,
                                                  const G4MaterialCutsCouple* couple,
                                                  const G4DynamicParticle* particle,
                                                  G4double,
                                                  G4double)
{

  if (verboseLevel > 3)
  {
    G4cout << "Calling SampleSecondaries() of G4DNABornIonisationModel2"
        << G4endl;
  }

  G4double k = particle->GetKineticEnergy();

  if (k >= fLowEnergyLimit && k < fHighEnergyLimit)
  {
    G4ParticleMomentum primaryDirection = particle->GetMomentumDirection();
    G4double particleMass = particle->GetDefinition()->GetPDGMass();
    G4double totalEnergy = k + particleMass;
    G4double pSquare = k * (totalEnergy + particleMass);
    G4double totalMomentum = std::sqrt(pSquare);

    G4int ionizationShell = 0;

    if (!fasterCode) ionizationShell = RandomSelect(k);

    // SI: The following protection is necessary to avoid infinite loops :
    //  sigmadiff_ionisation_e_born.dat has non zero partial xs at 18 eV for shell 3 (ionizationShell ==2)
    //  sigmadiff_cumulated_ionisation_e_born.dat has zero cumulated partial xs at 18 eV for shell 3 (ionizationShell ==2)
    //  this is due to the fact that the max allowed transfered energy is (18+10.79)/2=17.025 eV and only transfered energies
    //  strictly above this value have non zero partial xs in sigmadiff_ionisation_e_born.dat (starting at trans = 17.12 eV)

    if (fasterCode)
    do
    {
      ionizationShell = RandomSelect(k);
    }while (k<19*eV && ionizationShell==2 && particle->GetDefinition()==G4Electron::ElectronDefinition());

    G4double secondaryKinetic=-1000*eV;

    if (fasterCode == false)
    {
      secondaryKinetic = RandomizeEjectedElectronEnergy(particle->GetDefinition(),k,ionizationShell);
    }
    else
    {
      secondaryKinetic = RandomizeEjectedElectronEnergyFromCumulatedDcs(particle->GetDefinition(),k,ionizationShell);
    }

    G4int Z = 8;

    G4ThreeVector deltaDirection =
    GetAngularDistribution()->SampleDirectionForShell(particle, secondaryKinetic,
        Z, ionizationShell,
        couple->GetMaterial());

    if (secondaryKinetic>0)
    {
      G4DynamicParticle* dp = new G4DynamicParticle (G4Electron::Electron(),deltaDirection,secondaryKinetic);
      fvect->push_back(dp);
    }

    if (particle->GetDefinition() == G4Electron::ElectronDefinition())
    {
      G4double deltaTotalMomentum = std::sqrt(secondaryKinetic*(secondaryKinetic + 2.*electron_mass_c2 ));

      G4double finalPx = totalMomentum*primaryDirection.x() - deltaTotalMomentum*deltaDirection.x();
      G4double finalPy = totalMomentum*primaryDirection.y() - deltaTotalMomentum*deltaDirection.y();
      G4double finalPz = totalMomentum*primaryDirection.z() - deltaTotalMomentum*deltaDirection.z();
      G4double finalMomentum = std::sqrt(finalPx*finalPx + finalPy*finalPy + finalPz*finalPz);
      finalPx /= finalMomentum;
      finalPy /= finalMomentum;
      finalPz /= finalMomentum;

      G4ThreeVector direction;
      direction.set(finalPx,finalPy,finalPz);

      fParticleChangeForGamma->ProposeMomentumDirection(direction.unit());
    }

    else fParticleChangeForGamma->ProposeMomentumDirection(primaryDirection);

    // AM: sample deexcitation
    // here we assume that H_{2}O electronic levels are the same as Oxygen.
    // this can be considered true with a rough 10% error in energy on K-shell,

    G4int secNumberInit = 0;// need to know at a certain point the energy of secondaries
    G4int secNumberFinal = 0;// So I'll make the diference and then sum the energies

    G4double bindingEnergy = 0;
    bindingEnergy = waterStructure.IonisationEnergy(ionizationShell);

    // SI: additional protection if tcs interpolation method is modified
    if (k<bindingEnergy) return;
    //

    if(fAtomDeexcitation)
    {
      G4AtomicShellEnumerator as = fKShell;

      if (ionizationShell <5 && ionizationShell >1)
      {
        as = G4AtomicShellEnumerator(4-ionizationShell);
      }
      else if (ionizationShell <2)
      {
        as = G4AtomicShellEnumerator(3);
      }

      //  FOR DEBUG ONLY
      //  if (ionizationShell == 4) {
      //
      //    G4cout << "Z: " << Z << " as: " << as
      //               << " ionizationShell: " << ionizationShell << " bindingEnergy: "<< bindingEnergy/eV << G4endl;
      //        G4cout << "Press <Enter> key to continue..." << G4endl;
      //    G4cin.ignore();
      //  }

      const G4AtomicShell* shell = fAtomDeexcitation->GetAtomicShell(Z, as);
      secNumberInit = fvect->size();
      fAtomDeexcitation->GenerateParticles(fvect, shell, Z, 0, 0);
      secNumberFinal = fvect->size();
    }

    // Note that secondaryKinetic is the energy of the delta ray, not of all secondaries.

    G4double scatteredEnergy = k-bindingEnergy-secondaryKinetic;
    G4double deexSecEnergy = 0;
    for (G4int j=secNumberInit; j < secNumberFinal; j++)
    {
      deexSecEnergy = deexSecEnergy + (*fvect)[j]->GetKineticEnergy();
    }

    if (!statCode)
    {
      fParticleChangeForGamma->SetProposedKineticEnergy(scatteredEnergy);
      fParticleChangeForGamma->ProposeLocalEnergyDeposit(k-scatteredEnergy-secondaryKinetic-deexSecEnergy);
    }
    else
    {
      fParticleChangeForGamma->SetProposedKineticEnergy(k);
      fParticleChangeForGamma->ProposeLocalEnergyDeposit(k-scatteredEnergy);
    }
    
    // TEST //////////////////////////
    // if (secondaryKinetic<0) abort();
    // if (scatteredEnergy<0) abort();
    // if (k-scatteredEnergy-secondaryKinetic-deexSecEnergy<0) abort();
    // if (k-scatteredEnergy<0) abort();

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

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

G4double G4DNABornIonisationModel2::RandomizeEjectedElectronEnergy(G4ParticleDefinition* particleDefinition,
                                                                   G4double k,
                                                                   G4int shell)
{
  // G4cout << "*** SLOW computation for " << " " << particleDefinition->GetParticleName() << G4endl;

  if (particleDefinition == G4Electron::ElectronDefinition())
  {
    G4double maximumEnergyTransfer = 0.;
    if ((k + waterStructure.IonisationEnergy(shell)) / 2. > k)
      maximumEnergyTransfer = k;
    else
      maximumEnergyTransfer = (k + waterStructure.IonisationEnergy(shell)) / 2.;

    // SI : original method
    /*
     G4double crossSectionMaximum = 0.;
     for(G4double value=waterStructure.IonisationEnergy(shell); value<=maximumEnergyTransfer; value+=0.1*eV)
     {
     G4double differentialCrossSection = DifferentialCrossSection(particleDefinition, k/eV, value/eV, shell);
     if(differentialCrossSection >= crossSectionMaximum) crossSectionMaximum = differentialCrossSection;
     }
    */

    // SI : alternative method
    G4double crossSectionMaximum = 0.;

    G4double minEnergy = waterStructure.IonisationEnergy(shell);
    G4double maxEnergy = maximumEnergyTransfer;
    G4int nEnergySteps = 50;

    G4double value(minEnergy);
    G4double stpEnergy(std::pow(maxEnergy / value,
                                1. / static_cast<G4double>(nEnergySteps - 1)));
    G4int step(nEnergySteps);
    while (step > 0)
    {
      step--;
      G4double differentialCrossSection =
          DifferentialCrossSection(particleDefinition,
                                   k / eV,
                                   value / eV,
                                   shell);
      if (differentialCrossSection >= crossSectionMaximum)
        crossSectionMaximum = differentialCrossSection;
      value *= stpEnergy;
    }
    //

    G4double secondaryElectronKineticEnergy = 0.;
    do
    {
      secondaryElectronKineticEnergy = G4UniformRand()* (maximumEnergyTransfer-waterStructure.IonisationEnergy(shell));
    }while(G4UniformRand()*crossSectionMaximum >
        DifferentialCrossSection(particleDefinition, k/eV,
            (secondaryElectronKineticEnergy+waterStructure.IonisationEnergy(shell))/eV,shell));

    return secondaryElectronKineticEnergy;

  }

  else if (particleDefinition == G4Proton::ProtonDefinition())
  {
    G4double maximumKineticEnergyTransfer = 4.
        * (electron_mass_c2 / proton_mass_c2) * k;

    G4double crossSectionMaximum = 0.;
    for (G4double value = waterStructure.IonisationEnergy(shell);
        value <= 4. * waterStructure.IonisationEnergy(shell); value += 0.1 * eV)
    {
      G4double differentialCrossSection =
          DifferentialCrossSection(particleDefinition,
                                   k / eV,
                                   value / eV,
                                   shell);
      if (differentialCrossSection >= crossSectionMaximum)
        crossSectionMaximum = differentialCrossSection;
    }

    G4double secondaryElectronKineticEnergy = 0.;
    do
    {
      secondaryElectronKineticEnergy = G4UniformRand()* maximumKineticEnergyTransfer;
    }while(G4UniformRand()*crossSectionMaximum >=
        DifferentialCrossSection(particleDefinition, k/eV,
            (secondaryElectronKineticEnergy+waterStructure.IonisationEnergy(shell))/eV,shell));

    return secondaryElectronKineticEnergy;
  }

  return 0;
}

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

// The following section is not used anymore but is kept for memory
// GetAngularDistribution()->SampleDirectionForShell is used instead

/*
 void G4DNABornIonisationModel2::RandomizeEjectedElectronDirection(G4ParticleDefinition* particleDefinition,
 G4double k,
 G4double secKinetic,
 G4double & cosTheta,
 G4double & phi )
 {
 if (particleDefinition == G4Electron::ElectronDefinition())
 {
 phi = twopi * G4UniformRand();
 if (secKinetic < 50.*eV) cosTheta = (2.*G4UniformRand())-1.;
 else if (secKinetic <= 200.*eV)
 {
 if (G4UniformRand() <= 0.1) cosTheta = (2.*G4UniformRand())-1.;
 else cosTheta = G4UniformRand()*(std::sqrt(2.)/2);
 }
 else
 {
 G4double sin2O = (1.-secKinetic/k) / (1.+secKinetic/(2.*electron_mass_c2));
 cosTheta = std::sqrt(1.-sin2O);
 }
 }

 else if (particleDefinition == G4Proton::ProtonDefinition())
 {
 G4double maxSecKinetic = 4.* (electron_mass_c2 / proton_mass_c2) * k;
 phi = twopi * G4UniformRand();

 // cosTheta = std::sqrt(secKinetic / maxSecKinetic);

 // Restriction below 100 eV from Emfietzoglou (2000)

 if (secKinetic>100*eV) cosTheta = std::sqrt(secKinetic / maxSecKinetic);
 else cosTheta = (2.*G4UniformRand())-1.;

 }
 }
 */

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
G4double G4DNABornIonisationModel2::DifferentialCrossSection(G4ParticleDefinition * /*particleDefinition*/,
                                                           G4double k,
                                                           G4double energyTransfer,
                                                           G4int ionizationLevelIndex)
{
  G4double sigma = 0.;

  if (energyTransfer >= waterStructure.IonisationEnergy(ionizationLevelIndex)/eV)
  {
    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;

    // k should be in eV and energy transfer eV also

    std::vector<G4double>::iterator t2 = std::upper_bound(fTdummyVec.begin(),
                                                        fTdummyVec.end(),
                                                        k);

    std::vector<G4double>::iterator t1 = t2 - 1;

    // SI : the following condition avoids situations where energyTransfer >last vector element
    
    if (energyTransfer <= fVecm[(*t1)].back()
        && energyTransfer <= fVecm[(*t2)].back())
    {
      std::vector<G4double>::iterator e12 = std::upper_bound(fVecm[(*t1)].begin(),
                                                           fVecm[(*t1)].end(),
                                                           energyTransfer);
      std::vector<G4double>::iterator e11 = e12 - 1;

      std::vector<G4double>::iterator e22 = std::upper_bound(fVecm[(*t2)].begin(),
                                                           fVecm[(*t2)].end(),
                                                           energyTransfer);
      std::vector<G4double>::iterator e21 = e22 - 1;

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

      xs11 = fDiffCrossSectionData[ionizationLevelIndex][valueT1][valueE11];
      xs12 = fDiffCrossSectionData[ionizationLevelIndex][valueT1][valueE12];
      xs21 = fDiffCrossSectionData[ionizationLevelIndex][valueT2][valueE21];
      xs22 = fDiffCrossSectionData[ionizationLevelIndex][valueT2][valueE22];

    }

    G4double xsProduct = xs11 * xs12 * xs21 * xs22;
    if (xsProduct != 0.)
    {
      sigma = QuadInterpolator(valueE11,
                               valueE12,
                               valueE21,
                               valueE22,
                               xs11,
                               xs12,
                               xs21,
                               xs22,
                               valueT1,
                               valueT2,
                               k,
                               energyTransfer);
    }
  }

  return sigma;
}

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

G4double G4DNABornIonisationModel2::Interpolate(G4double e1,
                                                G4double e2,
                                                G4double e,
                                                G4double xs1,
                                                G4double xs2)
{
  G4double value = 0.;

  // Log-log interpolation by default

  if (e1 != 0 && e2 != 0 && (std::log10(e2) - std::log10(e1)) != 0
      && !fasterCode)
  {
    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;
    value = (std::pow(10., sigma));
  }

  // Switch to lin-lin interpolation
  /*
   if ((e2-e1)!=0)
   {
   G4double d1 = xs1;
   G4double d2 = xs2;
   value = (d1 + (d2 - d1)*(e - e1)/ (e2 - e1));
   }
  */

  // Switch to log-lin interpolation for faster code
  if ((e2 - e1) != 0 && xs1 != 0 && xs2 != 0 && fasterCode)
  {
    G4double d1 = std::log10(xs1);
    G4double d2 = std::log10(xs2);
    value = std::pow(10., (d1 + (d2 - d1) * (e - e1) / (e2 - e1)));
  }

  // Switch to lin-lin interpolation for faster code
  // in case one of xs1 or xs2 (=cum proba) value is zero

  if ((e2 - e1) != 0 && (xs1 == 0 || xs2 == 0) && fasterCode)
  {
    G4double d1 = xs1;
    G4double d2 = xs2;
    value = (d1 + (d2 - d1) * (e - e1) / (e2 - e1));
  }

  /*
   G4cout
   << e1 << " "
   << e2 << " "
   << e  << " "
   << xs1 << " "
   << xs2 << " "
   << value
   << G4endl;
  */

  return value;
}

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

G4double G4DNABornIonisationModel2::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)
{
  G4double interpolatedvalue1 = Interpolate(e11, e12, e, xs11, xs12);
  G4double interpolatedvalue2 = Interpolate(e21, e22, e, xs21, xs22);
  G4double value = Interpolate(t1,
                               t2,
                               t,
                               interpolatedvalue1,
                               interpolatedvalue2);

  return value;
}

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

G4double G4DNABornIonisationModel2::GetPartialCrossSection(const G4Material*,
                                                           G4int level,
                                                           const G4ParticleDefinition* /*particle*/,
                                                           G4double kineticEnergy)
{
  return fTableData->GetComponent(level)->FindValue(kineticEnergy);
}

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

G4int G4DNABornIonisationModel2::RandomSelect(G4double k)
{
  G4int level = 0;

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

  while (i > 0)
  {
    i--;
    valuesBuffer[i] = fTableData->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;

  return level;
}

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

G4double G4DNABornIonisationModel2::RandomizeEjectedElectronEnergyFromCumulatedDcs(G4ParticleDefinition* particleDefinition,
                                                                                   G4double k,
                                                                                   G4int shell)
{
  // G4cout << "*** FAST computation for " << " " << particleDefinition->GetParticleName() << G4endl;

  G4double secondaryElectronKineticEnergy = 0.;

  G4double random = G4UniformRand();

  secondaryElectronKineticEnergy = TransferedEnergy(particleDefinition,
                                                    k / eV,
                                                    shell,
                                                    random) * eV
      - waterStructure.IonisationEnergy(shell);

  // G4cout << TransferedEnergy(particleDefinition, k/eV, shell, random) << G4endl;
  if (secondaryElectronKineticEnergy < 0.)
    return 0.;
  //

  return secondaryElectronKineticEnergy;
}

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

G4double G4DNABornIonisationModel2::TransferedEnergy(G4ParticleDefinition* /*particleDefinition*/,
                                                     G4double k,
                                                     G4int ionizationLevelIndex,
                                                     G4double random)
{

  G4double nrj = 0.;

  G4double valueK1 = 0;
  G4double valueK2 = 0;
  G4double valuePROB21 = 0;
  G4double valuePROB22 = 0;
  G4double valuePROB12 = 0;
  G4double valuePROB11 = 0;

  G4double nrjTransf11 = 0;
  G4double nrjTransf12 = 0;
  G4double nrjTransf21 = 0;
  G4double nrjTransf22 = 0;

  // k should be in eV
  std::vector<G4double>::iterator k2 = std::upper_bound(fTdummyVec.begin(),
                                                      fTdummyVec.end(),
                                                      k);
  std::vector<G4double>::iterator k1 = k2 - 1;

  /*
   G4cout << "----> k=" << k
   << " " << *k1
   << " " << *k2
   << " " << random
   << " " << ionizationLevelIndex
   << " " << eProbaShellMap[ionizationLevelIndex][(*k1)].back()
   << " " << eProbaShellMap[ionizationLevelIndex][(*k2)].back()
   << G4endl;
  */

  // SI : the following condition avoids situations where random >last vector element
  if (random <= fProbaShellMap[ionizationLevelIndex][(*k1)].back()
      && random <= fProbaShellMap[ionizationLevelIndex][(*k2)].back())
  {
    std::vector<G4double>::iterator prob12 =
        std::upper_bound(fProbaShellMap[ionizationLevelIndex][(*k1)].begin(),
                         fProbaShellMap[ionizationLevelIndex][(*k1)].end(),
                         random);

    std::vector<G4double>::iterator prob11 = prob12 - 1;

    std::vector<G4double>::iterator prob22 =
        std::upper_bound(fProbaShellMap[ionizationLevelIndex][(*k2)].begin(),
                         fProbaShellMap[ionizationLevelIndex][(*k2)].end(),
                         random);

    std::vector<G4double>::iterator prob21 = prob22 - 1;

    valueK1 = *k1;
    valueK2 = *k2;
    valuePROB21 = *prob21;
    valuePROB22 = *prob22;
    valuePROB12 = *prob12;
    valuePROB11 = *prob11;

    /*
     G4cout << "        " << random << " " << valuePROB11 << " "
     << valuePROB12 << " " << valuePROB21 << " " << valuePROB22 << G4endl;
    */

    nrjTransf11 = fNrjTransfData[ionizationLevelIndex][valueK1][valuePROB11];
    nrjTransf12 = fNrjTransfData[ionizationLevelIndex][valueK1][valuePROB12];
    nrjTransf21 = fNrjTransfData[ionizationLevelIndex][valueK2][valuePROB21];
    nrjTransf22 = fNrjTransfData[ionizationLevelIndex][valueK2][valuePROB22];

    /*
     G4cout << "        " << ionizationLevelIndex << " "
     << random << " " <<valueK1 << " " << valueK2 << G4endl;

     G4cout << "        " << random << " " << nrjTransf11 << " "
     << nrjTransf12 << " " << nrjTransf21 << " " <<nrjTransf22 << G4endl;
    */

  }
  // Avoids cases where cum xs is zero for k1 and is not for k2 (with always k1<k2)
  if (random > fProbaShellMap[ionizationLevelIndex][(*k1)].back())
  {
    std::vector<G4double>::iterator prob22 =
        std::upper_bound(fProbaShellMap[ionizationLevelIndex][(*k2)].begin(),
                         fProbaShellMap[ionizationLevelIndex][(*k2)].end(),
                         random);

    std::vector<G4double>::iterator prob21 = prob22 - 1;

    valueK1 = *k1;
    valueK2 = *k2;
    valuePROB21 = *prob21;
    valuePROB22 = *prob22;

    // G4cout << "        " << random << " " << valuePROB21 << " " << valuePROB22 << G4endl;

    nrjTransf21 = fNrjTransfData[ionizationLevelIndex][valueK2][valuePROB21];
    nrjTransf22 = fNrjTransfData[ionizationLevelIndex][valueK2][valuePROB22];

    G4double interpolatedvalue2 = Interpolate(valuePROB21,
                                              valuePROB22,
                                              random,
                                              nrjTransf21,
                                              nrjTransf22);

    // zeros are explicitly set

    G4double value = Interpolate(valueK1, valueK2, k, 0., interpolatedvalue2);

    /*
     G4cout << "        " << ionizationLevelIndex << " "
     << random << " " <<valueK1 << " " << valueK2 << G4endl;

     G4cout << "        " << random << " " << nrjTransf11 << " "
     << nrjTransf12 << " " << nrjTransf21 << " " <<nrjTransf22 << G4endl;

     G4cout << "ici" << " " << value << G4endl;
    */

    return value;
  }

  // End electron and proton cases

  G4double nrjTransfProduct = nrjTransf11 * nrjTransf12 * nrjTransf21
      * nrjTransf22;
  //G4cout << "nrjTransfProduct=" << nrjTransfProduct << G4endl;

  if (nrjTransfProduct != 0.)
  {
    nrj = QuadInterpolator(valuePROB11,
                           valuePROB12,
                           valuePROB21,
                           valuePROB22,
                           nrjTransf11,
                           nrjTransf12,
                           nrjTransf21,
                           nrjTransf22,
                           valueK1,
                           valueK2,
                           k,
                           random);
  }
  // G4cout << nrj << endl;

  return nrj;
}