G4DNAOneStepThermalizationModel.cc

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// $Id: G4DNAOneStepThermalizationModel.cc 94218 2015-11-09 08:24:48Z gcosmo $
//
// Author: Mathieu Karamitros (kara (AT) cenbg . in2p3 . fr) 
//
// WARNING : This class is released as a prototype.
// It might strongly evolve or even disapear in the next releases.
//
// History:
// -----------
// 10 Oct 2011 M.Karamitros created
//
// -------------------------------------------------------------------

#include "G4DNAOneStepThermalizationModel.hh"
#include "G4PhysicalConstants.hh"
#include "G4SystemOfUnits.hh"
#include "G4DNAWaterExcitationStructure.hh"
#include "G4ParticleChangeForGamma.hh"
#include "G4Electron.hh"
#include "G4NistManager.hh"
#include "G4DNAChemistryManager.hh"
#include "G4DNAMolecularMaterial.hh"
#include "G4ITNavigator.hh"
#include "G4Navigator.hh"
#include "G4TransportationManager.hh"
#include "G4ITNavigator.hh"

G4DNAOneStepThermalizationModel::
G4DNAOneStepThermalizationModel(const G4ParticleDefinition*,
                             const G4String& nam) :
    G4VEmModel(nam), fIsInitialised(false)
{
  fVerboseLevel = 0;
  SetLowEnergyLimit(0.);
  G4DNAWaterExcitationStructure exStructure;
  SetHighEnergyLimit(exStructure.ExcitationEnergy(0));
  fParticleChangeForGamma = 0;
  fpWaterDensity = 0;
  fNavigator = 0;
}

//------------------------------------------------------------------------------

G4DNAOneStepThermalizationModel::~G4DNAOneStepThermalizationModel()
{
  if(fNavigator)
  {
    if(fNavigator->GetNavigatorState())
      delete fNavigator->GetNavigatorState();
    delete fNavigator;
  }
}

//------------------------------------------------------------------------------

void G4DNAOneStepThermalizationModel::
Initialise(const G4ParticleDefinition* particleDefinition,
           const G4DataVector&)
{
#ifdef G4VERBOSE
  if(fVerboseLevel)
  G4cout << "Calling G4DNAOneStepThermalizationModel::Initialise()" << G4endl;
#endif
  if (particleDefinition != G4Electron::ElectronDefinition())
  {
    G4ExceptionDescription exceptionDescription;
    exceptionDescription << "G4DNAOneStepThermalizationModel can only be applied "
        "to electrons";
    G4Exception("G4DNAOneStepThermalizationModel::CrossSectionPerVolume",
                "G4DNAOneStepThermalizationModel001",
                FatalErrorInArgument,exceptionDescription);
    return;
  }

  if(!fIsInitialised)
  {
    fIsInitialised = true;
    fParticleChangeForGamma = GetParticleChangeForGamma();
  }

  G4Navigator* navigator =
      G4TransportationManager::GetTransportationManager()->
        GetNavigatorForTracking();

  fNavigator = new G4ITNavigator();

  fNavigator->SetWorldVolume(navigator->GetWorldVolume());
  fNavigator->NewNavigatorState();

  fpWaterDensity =
      G4DNAMolecularMaterial::Instance()->
        GetNumMolPerVolTableFor(G4Material::GetMaterial("G4_WATER"));
}

//------------------------------------------------------------------------------

G4double G4DNAOneStepThermalizationModel::
CrossSectionPerVolume(const G4Material* material,
                      const G4ParticleDefinition*,
                      G4double ekin,
                      G4double,
                      G4double)
{
#ifdef G4VERBOSE
  if(fVerboseLevel > 1)
    G4cout << "Calling CrossSectionPerVolume() of G4DNAOneStepThermalizationModel"
           << G4endl;
#endif

  if(ekin > HighEnergyLimit())
  {
    return 0.0;
  }

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

  if(waterDensity!= 0.0)
  {
//    if (ekin <= HighEnergyLimit()) // already tested
    {
      return DBL_MAX;
    }
  }
  return 0.;
}

//------------------------------------------------------------------------------

G4ThreeVector G4DNAOneStepThermalizationModel::
RadialDistributionOfProducts(G4double expectationValue) const
{
  G4double sigma = std::sqrt(1.57) / 2 * expectationValue;

  G4double XValueForfMax = std::sqrt(2. * sigma * sigma);
  G4double fMaxValue = std::sqrt(2. / 3.14)
      * 1. / (sigma * sigma * sigma)
      * (XValueForfMax * XValueForfMax)
      * std::exp(-1. / 2. * (XValueForfMax * XValueForfMax)
      / (sigma * sigma));

  G4double R;

  do
  {
    G4double aRandomfValue = fMaxValue * G4UniformRand();

    G4double sign;
    if(G4UniformRand() > 0.5)
    {
      sign = +1.;
    }
    else
    {
      sign = -1;
    }

    R = expectationValue + sign*3.*sigma* G4UniformRand();
    G4double f = std::sqrt(2./3.14) * 1/std::pow(sigma, 3)
                * R*R * std::exp(-1./2. * R*R/(sigma*sigma));

    if(aRandomfValue < f)
    {
      break;
    }
  }
  while(1);

  G4double costheta = (2. * G4UniformRand()-1.);
  G4double theta = std::acos(costheta);
  G4double phi = 2. * pi * G4UniformRand();

  G4double xDirection = R * std::cos(phi) * std::sin(theta);
  G4double yDirection = R * std::sin(theta) * std::sin(phi);
  G4double zDirection = R * costheta;
  G4ThreeVector RandDirection = G4ThreeVector(xDirection,
                                              yDirection,
                                              zDirection);

  return RandDirection;
}

//------------------------------------------------------------------------------

void G4DNAOneStepThermalizationModel::
SampleSecondaries(std::vector<G4DynamicParticle*>*,
                  const G4MaterialCutsCouple*,
                  const G4DynamicParticle* particle,
                  G4double,
                  G4double)
{
#ifdef G4VERBOSE
  if(fVerboseLevel)
  G4cout << "Calling SampleSecondaries() of G4DNAOneStepThermalizationModel"
         << G4endl;
#endif
       G4double k = particle->GetKineticEnergy();

 if (k <= HighEnergyLimit())
 {
   G4double k_eV = k/eV;

    G4double r_mean =
          (-0.003*std::pow(k_eV,6)
           + 0.0749*std::pow(k_eV,5)
           - 0.7197*std::pow(k_eV,4)
           + 3.1384*std::pow(k_eV,3)
           - 5.6926*std::pow(k_eV,2)
           + 5.6237*k_eV
           - 0.7883)*nanometer;

    G4ThreeVector displacement = RadialDistributionOfProducts (r_mean);

    //______________________________________________________________
    const G4Track * theIncomingTrack =
        fParticleChangeForGamma->GetCurrentTrack();
    G4ThreeVector finalPosition(theIncomingTrack->GetPosition()+displacement);

    fNavigator->SetWorldVolume(theIncomingTrack->GetTouchable()->
                             GetVolume(theIncomingTrack->GetTouchable()->
                                       GetHistoryDepth()));

    double displacementMag = displacement.mag();
    double safety = DBL_MAX;
    G4ThreeVector direction = displacement/displacementMag;

    fNavigator->ResetHierarchyAndLocate(theIncomingTrack->GetPosition(),
                                       direction,
                                       *((G4TouchableHistory*)
                                           theIncomingTrack->GetTouchable()));

    fNavigator->ComputeStep(theIncomingTrack->GetPosition(),
                          displacement/displacementMag,
                          displacementMag,
                          safety);

    if(safety <= displacementMag)
    {
      finalPosition = theIncomingTrack->GetPosition()
                      + (displacement/displacementMag)*safety*0.80;
    }

    G4DNAChemistryManager::Instance()->CreateSolvatedElectron(theIncomingTrack,
                                                              &finalPosition);

    fParticleChangeForGamma->SetProposedKineticEnergy(25.e-3*eV);
    fParticleChangeForGamma->ProposeTrackStatus(fStopAndKill);
    fParticleChangeForGamma->ProposeLocalEnergyDeposit(k);
  }
}