G4DNABornExcitationModel2.cc

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#include "G4DNABornExcitationModel2.hh"
#include "G4SystemOfUnits.hh"
#include "G4DNAChemistryManager.hh"
#include "G4DNAMolecularMaterial.hh"
#include "G4PhysicsTable.hh"
#include "G4PhysicsVector.hh"
#include "G4UnitsTable.hh"
#include <map>

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using namespace std;

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G4DNABornExcitationModel2::G4DNABornExcitationModel2(const G4ParticleDefinition*,
                                                     const G4String& nam) :
G4VEmModel(nam), isInitialised(false), fTableData(0)
{
  fpMolWaterDensity = 0;
  fHighEnergy = 0;
  fLowEnergy = 0;
  fParticleDefinition = 0;

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

  if (verboseLevel > 0)
  {
    G4cout << "Born excitation model is constructed " << G4endl;
  }
  fParticleChangeForGamma = 0;
  fLastBinCallForFinalXS = 0;
  fTotalXS = 0;
  fTableData = 0;

  // Selection of stationary mode

  statCode = false;
}

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G4DNABornExcitationModel2::~G4DNABornExcitationModel2()
{
  // Cross section
  if (fTableData)
    delete fTableData;
}

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void G4DNABornExcitationModel2::Initialise(const G4ParticleDefinition* particle,
                                           const G4DataVector& /*cuts*/)
{

  if (verboseLevel > 3)
  {
    G4cout << "Calling G4DNABornExcitationModel2::Initialise()" << G4endl;
  }

  if(fParticleDefinition != 0 && fParticleDefinition != particle)
  {
    G4Exception("G4DNABornExcitationModel2::Initialise","em0001",
        FatalException,"Model already initialized for another particle type.");
  }

  fParticleDefinition = particle;

  std::ostringstream fullFileName;
  char *path = getenv("G4LEDATA");

  if(G4String(path) == "")
  {
    G4Exception("G4DNABornExcitationModel2::Initialise","G4LEDATA-CHECK",
        FatalException, "G4LEDATA not defined in environment variables");
  }

  fullFileName << path;

  if(particle->GetParticleName() == "e-")
  {
    fullFileName << "/dna/bornExcitation-e.dat";
    fLowEnergy = 9*eV;
    fHighEnergy = 1*MeV;
  }
  else if(particle->GetParticleName() == "proton")
  {
    fullFileName << "/dna/bornExcitation-p.dat";
    fLowEnergy = 500. * keV;
    fHighEnergy = 100. * MeV;
  }

  SetLowEnergyLimit(fLowEnergy);
  SetHighEnergyLimit(fHighEnergy);

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

  fTableData = new G4PhysicsTable();
  fTableData->RetrievePhysicsTable(fullFileName.str().c_str(), true);
  for(size_t level = 0; level<fTableData->size(); ++level)
  {
    //(*fTableData)(level)->ScaleVector(1,scaleFactor);
    (*fTableData)(level)->SetSpline(true);
  }

  size_t finalBin_i = 2000;
  G4double E_min = fLowEnergy;
  G4double E_max = fHighEnergy;
  fTotalXS = new G4PhysicsLogVector(E_min, E_max, finalBin_i);
  fTotalXS->SetSpline(true);
  G4double energy;
  G4double finalXS;

  for(size_t energy_i = 0; energy_i < finalBin_i; ++energy_i)
  {
    energy = fTotalXS->Energy(energy_i);
    finalXS = 0;

    for(size_t level = 0; level<fTableData->size(); ++level)
    {
      finalXS += (*fTableData)(level)->Value(energy);
    }
    fTotalXS->PutValue(energy_i, finalXS);
    //G4cout << "energy = " << energy << " " << fTotalXS->Value(energy)
    //       << " " << energy_i << " " << finalXS << G4endl;
  }

  //    for(energy = LowEnergyLimit() ; energy < HighEnergyLimit() ; energy += 1*pow(10,log10(energy)))
  //    {
  //      G4cout << "energy = " << energy << " " << fTotalXS->Value(energy) << G4endl;
  //    }

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

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

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

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G4double G4DNABornExcitationModel2::CrossSectionPerVolume(const G4Material* material,
                                                          const G4ParticleDefinition* particleDefinition,
                                                          G4double ekin,
                                                          G4double,
                                                          G4double)
{
  if (verboseLevel > 3)
  {
    G4cout << "Calling CrossSectionPerVolume() of G4DNABornExcitationModel2"
        << G4endl;
  }

  if(particleDefinition != fParticleDefinition) return 0;

  // Calculate total cross section for model

  G4double sigma=0;

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

  if (ekin >= fLowEnergy && ekin <= fHighEnergy)
  {
    sigma = fTotalXS->Value(ekin, fLastBinCallForFinalXS);

    // for(size_t i = 0; i < 5; ++i)
    // sigma += (*fTableData)[i]->Value(ekin);

    if(sigma == 0)
    {
      G4cerr << "PROBLEM SIGMA = 0 at " << G4BestUnit(ekin, "Energy")<< G4endl;
    }
  }

  if (verboseLevel > 2)
  {
    G4cout << "__________________________________" << G4endl;
    G4cout << "G4DNABornExcitationModel2 - 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 << "G4DNABornExcitationModel2 - XS INFO END" << G4endl;
  }

  return sigma*waterDensity;
}

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void G4DNABornExcitationModel2::SampleSecondaries(std::vector<G4DynamicParticle*>* /*fvect*/,
                                                  const G4MaterialCutsCouple* /*couple*/,
                                                  const G4DynamicParticle* aDynamicParticle,
                                                  G4double,
                                                  G4double)
{

  if (verboseLevel > 3)
  {
    G4cout << "Calling SampleSecondaries() of G4DNABornExcitationModel2"
           << G4endl;
  }

  G4double k = aDynamicParticle->GetKineticEnergy();

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

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

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

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

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G4double G4DNABornExcitationModel2::GetPartialCrossSection(const G4Material*,
                                                           G4int level,
                                                           const G4ParticleDefinition* particle,
                                                           G4double kineticEnergy)
{
  if (fParticleDefinition != particle)
  {
    G4Exception("G4DNABornExcitationModel2::GetPartialCrossSection",
                "bornParticleType",
                FatalException,
                "Model initialized for another particle type.");
  }

  return (*fTableData)(level)->Value(kineticEnergy);
}

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G4int G4DNABornExcitationModel2::RandomSelect(G4double k)
{
  const size_t n(fTableData->size());
  size_t i(n);

  G4double value = fTotalXS->Value(k, fLastBinCallForFinalXS);

  value *= G4UniformRand();
  i = n;

  G4double partialXS;

  while (i > 0)
  {
    i--;

    partialXS = (*fTableData)(i)->Value(k);
    if (partialXS > value)
    {
      return i;
    }
    value -= partialXS;
  }

  return 0;
}