G4DNAOneStepSolvatationModel.cc

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// $Id: G4DNAOneStepSolvatationModel.cc 87137 2014-11-25 09:12:48Z 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 "G4DNAOneStepSolvatationModel.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"

G4DNAOneStepSolvatationModel::G4DNAOneStepSolvatationModel(const G4ParticleDefinition*,
                                                           const G4String& nam) :
    G4VEmModel(nam), fIsInitialised(false)
{
  fVerboseLevel = 0;
  SetLowEnergyLimit(0.);
  G4DNAWaterExcitationStructure exStructure;
  SetHighEnergyLimit(exStructure.ExcitationEnergy(0));
  fParticleChangeForGamma = 0;
  //  fNistWater  = G4NistManager::Instance()->FindOrBuildMaterial("G4_WATER");
  fpWaterDensity = 0;
}

//______________________________________________________________________
G4DNAOneStepSolvatationModel::~G4DNAOneStepSolvatationModel()
{
}

//______________________________________________________________________
void G4DNAOneStepSolvatationModel::Initialise(const G4ParticleDefinition* particleDefinition,
                                              const G4DataVector&)
{
#ifdef G4VERBOSE
  if (fVerboseLevel)
  G4cout << "Calling G4SancheSolvatationModel::Initialise()" << G4endl;
#endif
  if (particleDefinition != G4Electron::ElectronDefinition())
  {
    G4ExceptionDescription exceptionDescription;
    exceptionDescription << "Attempting to calculate cross section for wrong particle";
    G4Exception("G4DNAOneStepSolvatationModel::CrossSectionPerVolume","G4DNAOneStepSolvatationModel001",
        FatalErrorInArgument,exceptionDescription);
    return;
  }

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

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

//______________________________________________________________________
G4double G4DNAOneStepSolvatationModel::CrossSectionPerVolume(const G4Material* material,
                                                             const G4ParticleDefinition*,
                                                             G4double ekin,
                                                             G4double,
                                                             G4double)
{
#ifdef G4VERBOSE
  if (fVerboseLevel > 1)
  G4cout << "Calling CrossSectionPerVolume() of G4SancheSolvatationModel"
  << G4endl;
#endif

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

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

  if(waterDensity!= 0.0)
  //  if (material == nistwater || material->GetBaseMaterial() == nistwater)
  {
    if (ekin <= HighEnergyLimit())
    {
      return DBL_MAX;
    }
  }
  return 0.;
}

//______________________________________________________________________
G4ThreeVector G4DNAOneStepSolvatationModel::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 G4DNAOneStepSolvatationModel::SampleSecondaries(std::vector<
                                                         G4DynamicParticle*>*,
                                                     const G4MaterialCutsCouple*,
                                                     const G4DynamicParticle* particle,
                                                     G4double,
                                                     G4double)
{
#ifdef G4VERBOSE
  if (fVerboseLevel)
  G4cout << "Calling SampleSecondaries() of G4SancheSolvatationModel" << G4endl;
#endif
  G4double k = particle->GetKineticEnergy();

  if (k <= HighEnergyLimit())
  {
    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);

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

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