G4DNABornIonisationModel.cc

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// $Id: G4DNABornIonisationModel.cc 87137 2014-11-25 09:12:48Z gcosmo $
//

#include "G4DNABornIonisationModel.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"

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

using namespace std;

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

G4DNABornIonisationModel::G4DNABornIonisationModel(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;

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

  // Selection of computation method

  fasterCode = false;
}

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

G4DNABornIonisationModel::~G4DNABornIonisationModel()
{
  // 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;
  }

  // Final state

  eVecm.clear();
  pVecm.clear();
}

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

void G4DNABornIonisationModel::Initialise(const G4ParticleDefinition* particle,
                                          const G4DataVector& /*cuts*/)
{

  if (verboseLevel > 3)
  G4cout << "Calling G4DNABornIonisationModel::Initialise()" << G4endl;

  // Energy limits

  G4String fileElectron("dna/sigma_ionisation_e_born");
  G4String fileProton("dna/sigma_ionisation_p_born");

  G4ParticleDefinition* electronDef = G4Electron::ElectronDefinition();
  G4ParticleDefinition* protonDef = G4Proton::ProtonDefinition();

  G4String electron;
  G4String proton;

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

  char *path = getenv("G4LEDATA");

  // *** ELECTRON

  electron = electronDef->GetParticleName();

  tableFile[electron] = fileElectron;

  lowEnergyLimit[electron] = 11. * eV;
  highEnergyLimit[electron] = 1. * MeV;

  // Cross section

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

  tableData[electron] = tableE;

  // Final state

  std::ostringstream eFullFileName;

  if (fasterCode) eFullFileName << path << "/dna/sigmadiff_cumulated_ionisation_e_born_hp.dat";
  if (!fasterCode) eFullFileName << path << "/dna/sigmadiff_ionisation_e_born.dat";

  std::ifstream eDiffCrossSection(eFullFileName.str().c_str());

  if (!eDiffCrossSection)
  {
    if (fasterCode) G4Exception("G4DNABornIonisationModel::Initialise","em0003",
        FatalException,"Missing data file:/dna/sigmadiff_cumulated_ionisation_e_born_hp.dat");

    if (!fasterCode) G4Exception("G4DNABornIonisationModel::Initialise","em0003",
        FatalException,"Missing data file:/dna/sigmadiff_ionisation_e_born.dat");
  }

  //

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

  eTdummyVec.clear();
  pTdummyVec.clear();

  eVecm.clear();
  pVecm.clear();

  eProbaShellMap->clear();
  pProbaShellMap->clear();

  eDiffCrossSectionData->clear();
  pDiffCrossSectionData->clear();

  eNrjTransfData->clear();
  pNrjTransfData->clear();

  //

  eTdummyVec.push_back(0.);
  while(!eDiffCrossSection.eof())
  {
    double tDummy;
    double eDummy;
    eDiffCrossSection>>tDummy>>eDummy;
    if (tDummy != eTdummyVec.back()) eTdummyVec.push_back(tDummy);
    for (int j=0; j<5; j++)
    {
      eDiffCrossSection>>eDiffCrossSectionData[j][tDummy][eDummy];

      if (fasterCode)
      {
        eNrjTransfData[j][tDummy][eDiffCrossSectionData[j][tDummy][eDummy]]=eDummy;
        eProbaShellMap[j][tDummy].push_back(eDiffCrossSectionData[j][tDummy][eDummy]);
      }

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

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

    }
  }

  // *** PROTON

  proton = protonDef->GetParticleName();

  tableFile[proton] = fileProton;

  lowEnergyLimit[proton] = 500. * keV;
  highEnergyLimit[proton] = 100. * MeV;

  // Cross section

  G4DNACrossSectionDataSet* tableP = new G4DNACrossSectionDataSet(new G4LogLogInterpolation, eV,scaleFactor );
  tableP->LoadData(fileProton);

  tableData[proton] = tableP;

  // Final state

  std::ostringstream pFullFileName;

  if (fasterCode) pFullFileName << path << "/dna/sigmadiff_cumulated_ionisation_p_born_hp.dat";

  if (!fasterCode) pFullFileName << path << "/dna/sigmadiff_ionisation_p_born.dat";

  std::ifstream pDiffCrossSection(pFullFileName.str().c_str());

  if (!pDiffCrossSection)
  {
    if (fasterCode) G4Exception("G4DNABornIonisationModel::Initialise","em0003",
        FatalException,"Missing data file:/dna/sigmadiff_cumulated_ionisation_p_born_hp.dat");

    if (!fasterCode) G4Exception("G4DNABornIonisationModel::Initialise","em0003",
        FatalException,"Missing data file:/dna/sigmadiff_ionisation_p_born.dat");
  }

  pTdummyVec.push_back(0.);
  while(!pDiffCrossSection.eof())
  {
    double tDummy;
    double eDummy;
    pDiffCrossSection>>tDummy>>eDummy;
    if (tDummy != pTdummyVec.back()) pTdummyVec.push_back(tDummy);
    for (int j=0; j<5; j++)
    {
      pDiffCrossSection>>pDiffCrossSectionData[j][tDummy][eDummy];

      if (fasterCode)
      {
        pNrjTransfData[j][tDummy][pDiffCrossSectionData[j][tDummy][eDummy]]=eDummy;
        pProbaShellMap[j][tDummy].push_back(pDiffCrossSectionData[j][tDummy][eDummy]);
      }

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

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

  //

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

  if (particle==protonDef)
  {
    SetLowEnergyLimit(lowEnergyLimit[proton]);
    SetHighEnergyLimit(highEnergyLimit[proton]);
  }

  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"));

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

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

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

G4double G4DNABornIonisationModel::CrossSectionPerVolume(const G4Material* material,
                                                         const G4ParticleDefinition* particleDefinition,
                                                         G4double ekin,
                                                         G4double,
                                                         G4double)
{
  if (verboseLevel > 3)
  G4cout << "Calling CrossSectionPerVolume() of G4DNABornIonisationModel"
  << G4endl;

  if (
      particleDefinition != G4Proton::ProtonDefinition()
      &&
      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)
  //  if (material == nistwater || material->GetBaseMaterial() == nistwater)
  {
    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("G4DNABornIonisationModel::CrossSectionPerVolume","em0002",
            FatalException,"Model not applicable to particle type.");
      }
    }

    if (verboseLevel > 2)
    {
      G4cout << "__________________________________" << G4endl;
      G4cout << "G4DNABornIonisationModel - 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 << "G4DNABornIonisationModel - XS INFO END" << G4endl;
    }
  } // if (waterMaterial)

  return sigma*waterDensity;
}

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

void G4DNABornIonisationModel::SampleSecondaries(std::vector<G4DynamicParticle*>* fvect,
                                                 const G4MaterialCutsCouple* couple,
                                                 const G4DynamicParticle* particle,
                                                 G4double,
                                                 G4double)
{

  if (verboseLevel > 3)
  G4cout << "Calling SampleSecondaries() of G4DNABornIonisationModel" << G4endl;

  G4double lowLim = 0;
  G4double highLim = 0;

  G4double k = particle->GetKineticEnergy();

  const G4String& particleName = particle->GetDefinition()->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 (k >= lowLim && k < highLim)
  {
    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,particleName);

    // 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,particleName);
    }while (k<19*eV && ionizationShell==2 && particle->GetDefinition()==G4Electron::ElectronDefinition());

    // AM: sample deexcitation
    // here we assume that H_{2}O electronic levels are the same of Oxigen.
    // 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 enrgy of secondaries
    G4int secNumberFinal = 0;// So I'll make the diference and then sum the energies

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

    G4int Z = 8;
    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();
    }

    G4double secondaryKinetic=-1000*eV;

    if (fasterCode == false)
    {
      secondaryKinetic = RandomizeEjectedElectronEnergy(particle->GetDefinition(),k,ionizationShell);
    }
    // SI - 01/04/2014
    else
    {
      secondaryKinetic = RandomizeEjectedElectronEnergyFromCumulatedDcs(particle->GetDefinition(),k,ionizationShell);
    }
    //

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

    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);

    // note thta secondaryKinetic is the nergy 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();
    }

    fParticleChangeForGamma->SetProposedKineticEnergy(scatteredEnergy);
    fParticleChangeForGamma->ProposeLocalEnergyDeposit(k-scatteredEnergy-secondaryKinetic-deexSecEnergy);

    // SI - 01/04/2014
    if (secondaryKinetic>0)
    {
      G4DynamicParticle* dp = new G4DynamicParticle (G4Electron::Electron(),deltaDirection,secondaryKinetic);
      fvect->push_back(dp);
    }
    //

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

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

G4double G4DNABornIonisationModel::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 G4DNABornIonisationModel::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......

double G4DNABornIonisationModel::DifferentialCrossSection(G4ParticleDefinition * particleDefinition,
                                                          G4double k,
                                                          G4double energyTransfer,
                                                          G4int ionizationLevelIndex)
{
  G4double sigma = 0.;

  if (energyTransfer >= waterStructure.IonisationEnergy(ionizationLevelIndex))
  {
    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())
    {
      // k should be in eV and energy transfer eV also

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

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

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

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

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

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

      }

    }

    if (particleDefinition == G4Proton::ProtonDefinition())
    {
      // k should be in eV and energy transfer eV also
      std::vector<double>::iterator t2 = std::upper_bound(pTdummyVec.begin(),
                                                          pTdummyVec.end(), k);
      std::vector<double>::iterator t1 = t2 - 1;

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

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

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

      xs11 = pDiffCrossSectionData[ionizationLevelIndex][valueT1][valueE11];
      xs12 = pDiffCrossSectionData[ionizationLevelIndex][valueT1][valueE12];
      xs21 = pDiffCrossSectionData[ionizationLevelIndex][valueT2][valueE21];
      xs22 = pDiffCrossSectionData[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 G4DNABornIonisationModel::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 G4DNABornIonisationModel::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......

G4int G4DNABornIonisationModel::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.;

            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("G4DNABornIonisationModel::RandomSelect","em0002",
                    FatalException,"Model not applicable to particle type.");
    }

    return level;
}

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

G4double G4DNABornIonisationModel::RandomizeEjectedElectronEnergyFromCumulatedDcs
(G4ParticleDefinition* particleDefinition, G4double k, G4int shell)
{
        //G4cout << "*** FAST computation for " << " " << particleDefinition->GetParticleName() << G4endl;
        
        G4double secondaryElectronKineticEnergy = 0.;
        
        secondaryElectronKineticEnergy= 
          RandomTransferedEnergy(particleDefinition, k/eV, shell)*eV-waterStructure.IonisationEnergy(shell);    
        
        //G4cout << RandomTransferedEnergy(particleDefinition, k/eV, shell) << G4endl;
        // SI - 01/04/2014
        if (secondaryElectronKineticEnergy<0.) return 0.;
        //

        return secondaryElectronKineticEnergy;
}

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

G4double G4DNABornIonisationModel::RandomTransferedEnergy
(G4ParticleDefinition* particleDefinition,G4double k, G4int ionizationLevelIndex)
{
  G4double random = G4UniformRand();

  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;

  if (particleDefinition == G4Electron::ElectronDefinition())
  {
    // k should be in eV
    std::vector<double>::iterator k2 = std::upper_bound(eTdummyVec.begin(),
                                                        eTdummyVec.end(),
                                                        k);
    std::vector<double>::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 <= eProbaShellMap[ionizationLevelIndex][(*k1)].back()
        && random <= eProbaShellMap[ionizationLevelIndex][(*k2)].back() )
    {
      std::vector<double>::iterator prob12 = std::upper_bound(eProbaShellMap[ionizationLevelIndex][(*k1)].begin(),
          eProbaShellMap[ionizationLevelIndex][(*k1)].end(), random);

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

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

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

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

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

      nrjTransf11 = eNrjTransfData[ionizationLevelIndex][valueK1][valuePROB11];
      nrjTransf12 = eNrjTransfData[ionizationLevelIndex][valueK1][valuePROB12];
      nrjTransf21 = eNrjTransfData[ionizationLevelIndex][valueK2][valuePROB21];
      nrjTransf22 = eNrjTransfData[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 > eProbaShellMap[ionizationLevelIndex][(*k1)].back() )
    {
      std::vector<double>::iterator prob22 = std::upper_bound(eProbaShellMap[ionizationLevelIndex][(*k2)].begin(),
          eProbaShellMap[ionizationLevelIndex][(*k2)].end(), random);

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

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

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

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

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

      // zeros are explicitely 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;
    }
  }
  //
  else if (particleDefinition == G4Proton::ProtonDefinition())
  {
    // k should be in eV

    std::vector<double>::iterator k2 = std::upper_bound(pTdummyVec.begin(),pTdummyVec.end(), k);

    std::vector<double>::iterator k1 = k2-1;

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

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

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

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

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

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

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

      nrjTransf11 = pNrjTransfData[ionizationLevelIndex][valueK1][valuePROB11];
      nrjTransf12 = pNrjTransfData[ionizationLevelIndex][valueK1][valuePROB12];
      nrjTransf21 = pNrjTransfData[ionizationLevelIndex][valueK2][valuePROB21];
      nrjTransf22 = pNrjTransfData[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 > pProbaShellMap[ionizationLevelIndex][(*k1)].back() )
    {
      std::vector<double>::iterator prob22 = std::upper_bound(pProbaShellMap[ionizationLevelIndex][(*k2)].begin(),
          pProbaShellMap[ionizationLevelIndex][(*k2)].end(), random);

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

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

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

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

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

      // zeros are explicitely 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;
}