G4DNAChampionElasticModel.cc

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// $Id$
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#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;
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
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();
 
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
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.dat";
    std::ifstream eDiffCrossSection(eFullFileName.str().c_str());
     
    if (!eDiffCrossSection) 
      G4Exception("G4DNAChampionElasticModel::Initialise","em0003",
                  FatalException,"Missing data file:/dna/sigmadiff_cumulated_elastic_e_champion.dat");
    
    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
  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];
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
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);
  }
 
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
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; 
}