G4LivermorePhotoElectricModel.cc

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// $Id$
//
//
// Author: Sebastien Incerti
//         30 October 2008
//         on base of G4LowEnergyPhotoElectric developed by A.Forti and M.G.Pia
//
// 22 Oct 2012   A & V Ivanchenko Migration data structure to G4PhysicsVector
// 

#include "G4LivermorePhotoElectricModel.hh"
#include "G4SystemOfUnits.hh"
#include "G4LossTableManager.hh"
#include "G4Electron.hh"
#include "G4Gamma.hh"
#include "G4ParticleChangeForGamma.hh"
#include "G4CrossSectionHandler.hh"
#include "G4LPhysicsFreeVector.hh"
#include "G4VAtomDeexcitation.hh"
#include "G4SauterGavrilaAngularDistribution.hh"
#include "G4AtomicShell.hh"

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using namespace std;

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G4LivermorePhotoElectricModel::G4LivermorePhotoElectricModel(
    const G4String& nam)
  : G4VEmModel(nam),fParticleChange(0),maxZ(99),
    nShellLimit(100),fDeexcitationActive(false),isInitialised(false),
    fAtomDeexcitation(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

  theGamma    = G4Gamma::Gamma();
  theElectron = G4Electron::Electron();

  // default generator
  SetAngularDistribution(new G4SauterGavrilaAngularDistribution());

  for(G4int i=0; i<maxZ; ++i) { 
    fCrossSection[i] = 0; 
    fCrossSectionLE[i] = 0; 
    fNShells[i] = 0;
    fNShellsUsed[i] = 0;
  }

  if(verboseLevel>0) {
    G4cout << "Livermore PhotoElectric is constructed " 
           << " nShellLimit= " << nShellLimit << G4endl;
  }

  //Mark this model as "applicable" for atomic deexcitation
  SetDeexcitationFlag(true);
}

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G4LivermorePhotoElectricModel::~G4LivermorePhotoElectricModel()
{  
  for(G4int i=0; i<maxZ; ++i) { 
    delete fCrossSection[i]; 
    delete fCrossSectionLE[i]; 
  }
}

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void 
G4LivermorePhotoElectricModel::Initialise(const G4ParticleDefinition*,
                                          const G4DataVector&)
{
  if (verboseLevel > 2) {
    G4cout << "Calling G4LivermorePhotoElectricModel::Initialise()" << G4endl;
  }

  char* path = getenv("G4LEDATA");

  G4ProductionCutsTable* theCoupleTable =
    G4ProductionCutsTable::GetProductionCutsTable();
  G4int numOfCouples = theCoupleTable->GetTableSize();
  
  for(G4int i=0; i<numOfCouples; ++i) 
  {
    const G4MaterialCutsCouple* couple = theCoupleTable->GetMaterialCutsCouple(i);
    const G4Material* material = couple->GetMaterial();
    const G4ElementVector* theElementVector = material->GetElementVector();
    G4int nelm = material->GetNumberOfElements();
    
    for (G4int j=0; j<nelm; ++j) 
    {        
      G4int Z = (G4int)(*theElementVector)[j]->GetZ();
      if(Z < 1)          { Z = 1; }
      else if(Z > maxZ)  { Z = maxZ; }
      if(!fCrossSection[Z]) { ReadData(Z, path); }
    }
  }  
  //  
  if (verboseLevel > 2) {
    G4cout << "Loaded cross section files for LivermorePhotoElectric model" 
           << G4endl;
  }
  if(!isInitialised) {
    isInitialised = true;
    fParticleChange = GetParticleChangeForGamma();

    fAtomDeexcitation = G4LossTableManager::Instance()->AtomDeexcitation();
  }
  fDeexcitationActive = false;
  if(fAtomDeexcitation) { 
    fDeexcitationActive = fAtomDeexcitation->IsFluoActive(); 
  }

  if (verboseLevel > 0) { 
    G4cout << "LivermorePhotoElectric model is initialized " << G4endl
           << G4endl;
  }
}

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G4double G4LivermorePhotoElectricModel::ComputeCrossSectionPerAtom(
                                       const G4ParticleDefinition*,
                                             G4double energy,
                                             G4double ZZ, G4double,
                                             G4double, G4double)
{
  if (verboseLevel > 3) {
    G4cout << "G4LivermorePhotoElectricModel::Calling ComputeCrossSectionPerAtom()" 
           << " Z= " << ZZ << "  R(keV)= " << energy/keV << G4endl;
  }
  G4double cs = 0.0;
  G4double gammaEnergy = energy;

  G4int Z = G4lrint(ZZ);
  if(Z < 1 || Z >= maxZ) { return cs; }

  // element was not initialised
  if(!fCrossSection[Z]) {
    char* path = getenv("G4LEDATA");
    ReadData(Z, path);
    if(!fCrossSection[Z]) { return cs; }
  }

  G4int idx = fNShells[Z]*6 - 4;
  if (gammaEnergy <= (fParam[Z])[idx-1]) { return cs; }
  
  G4double x1 = 1.0/gammaEnergy;
  G4double x2 = x1*x1;
  G4double x3 = x2*x1;

  // parameterisation
  if(gammaEnergy >= (fParam[Z])[0]) {
    G4double x4 = x2*x2;
    cs = x1*((fParam[Z])[idx] + x1*(fParam[Z])[idx+1]
             + x2*(fParam[Z])[idx+2] + x3*(fParam[Z])[idx+3] 
             + x4*(fParam[Z])[idx+4]);
    // high energy part
  } else if(gammaEnergy >= (fParam[Z])[1]) {
    cs = x3*(fCrossSection[Z])->Value(gammaEnergy);

    // low energy part
  } else {
    cs = x3*(fCrossSectionLE[Z])->Value(gammaEnergy);
  }
  if (verboseLevel > 1) { 
    G4cout << "LivermorePhotoElectricModel: E(keV)= " << gammaEnergy/keV
           << " Z= " << Z << " cross(barn)= " << cs/barn << G4endl;
  }
  return cs;
}

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void 
G4LivermorePhotoElectricModel::SampleSecondaries(
                              std::vector<G4DynamicParticle*>* fvect,
                              const G4MaterialCutsCouple* couple,
                              const G4DynamicParticle* aDynamicGamma,
                              G4double,
                              G4double)
{
  G4double gammaEnergy = aDynamicGamma->GetKineticEnergy();
  if (verboseLevel > 3) {
    G4cout << "G4LivermorePhotoElectricModel::SampleSecondaries() Egamma(keV)= "
           << gammaEnergy/keV << G4endl;
  }
  
  // kill incident photon
  fParticleChange->SetProposedKineticEnergy(0.);
  fParticleChange->ProposeTrackStatus(fStopAndKill);   
 
  // Returns the normalized direction of the momentum
  G4ThreeVector photonDirection = aDynamicGamma->GetMomentumDirection(); 

  // Select randomly one element in the current material
  //G4cout << "Select random atom Egamma(keV)= " << gammaEnergy/keV << G4endl;
  const G4Element* elm = SelectRandomAtom(couple->GetMaterial(),theGamma,
                                          gammaEnergy);
  G4int Z = G4lrint(elm->GetZ());

  // Select the ionised shell in the current atom according to shell 
  //   cross sections
  // G4cout << "Select random shell Z= " << Z << G4endl;

  if(Z >= maxZ) { Z = maxZ-1; }

  // element was not initialised
  if(!fCrossSection[Z]) {
    char* path = getenv("G4LEDATA");
    ReadData(Z, path);
    if(!fCrossSection[Z]) { 
      fParticleChange->ProposeLocalEnergyDeposit(gammaEnergy);
      return;
    }
  }
  
  // shell index
  size_t shellIdx = 0;
  size_t nn = fNShellsUsed[Z];

  if(nn > 1) {
    if(gammaEnergy >= (fParam[Z])[0]) {
      G4double x1 = 1.0/gammaEnergy;
      G4double x2 = x1*x1;
      G4double x3 = x2*x1;
      G4double x4 = x3*x1;
      G4int idx   = nn*6 - 4;
      // when do sampling common factors are not taken into account
      // so cross section is not real
      G4double cs0 = G4UniformRand()*((fParam[Z])[idx] + x1*(fParam[Z])[idx+1]
                                      + x2*(fParam[Z])[idx+2] 
                                      + x3*(fParam[Z])[idx+3] 
                                      + x4*(fParam[Z])[idx+4]);
      for(shellIdx=0; shellIdx<nn; ++shellIdx) {
        idx = shellIdx*6 + 2;
        if(gammaEnergy > (fParam[Z])[idx-1]) {
          G4double cs = (fParam[Z])[idx] + x1*(fParam[Z])[idx+1] 
            + x2*(fParam[Z])[idx+2] + x3*(fParam[Z])[idx+3] 
            + x4*(fParam[Z])[idx+4];
          if(cs >= cs0) { break; }
        }
      }
      if(shellIdx >= nn) { shellIdx = nn-1; }

    } else {

      // when do sampling common factors are not taken into account
      // so cross section is not real
      G4double cs = G4UniformRand();

      if(gammaEnergy >= (fParam[Z])[1]) {
        cs *= (fCrossSection[Z])->Value(gammaEnergy);
      } else {
        cs *= (fCrossSectionLE[Z])->Value(gammaEnergy);
      }

      for(size_t j=0; j<nn; ++j) {
        shellIdx = (size_t)fShellCrossSection.GetComponentID(Z, j);
        if(gammaEnergy > (fParam[Z])[6*shellIdx+1]) {
          cs -= fShellCrossSection.GetValueForComponent(Z, j, gammaEnergy);
        }
        if(cs <= 0.0 || j+1 == nn) { break; }
      }
    }
  }

  G4double bindingEnergy = (fParam[Z])[shellIdx*6 + 1];
  //G4cout << "Z= " << Z << " shellIdx= " << shellIdx 
  //       << " nShells= " << fNShells[Z] 
  //       << " Ebind(keV)= " << bindingEnergy/keV 
  //       << " Egamma(keV)= " << gammaEnergy/keV << G4endl;

  const G4AtomicShell* shell = 0;

  // no de-excitation from the last shell
  if(fDeexcitationActive && shellIdx + 1 < nn) {
    G4AtomicShellEnumerator as = G4AtomicShellEnumerator(shellIdx);
    shell = fAtomDeexcitation->GetAtomicShell(Z, as);
  }

  // If binding energy of the selected shell is larger than photon energy
  //    do not generate secondaries
  if(gammaEnergy < bindingEnergy) {
    fParticleChange->ProposeLocalEnergyDeposit(gammaEnergy);
    return;
  }

  // Primary outcoming electron
  G4double eKineticEnergy = gammaEnergy - bindingEnergy;
  G4double edep = bindingEnergy;

  // Calculate direction of the photoelectron
  G4ThreeVector electronDirection = 
    GetAngularDistribution()->SampleDirection(aDynamicGamma, 
                                              eKineticEnergy,
                                              shellIdx, 
                                              couple->GetMaterial());

  // The electron is created 
  G4DynamicParticle* electron = new G4DynamicParticle (theElectron,
                                                       electronDirection,
                                                       eKineticEnergy);
  fvect->push_back(electron);

  // Sample deexcitation
  if(shell) {
    G4int index = couple->GetIndex();
    if(fAtomDeexcitation->CheckDeexcitationActiveRegion(index)) {
      size_t nbefore = fvect->size();

      fAtomDeexcitation->GenerateParticles(fvect, shell, Z, index);
      size_t nafter = fvect->size();
      if(nafter > nbefore) {
        for (size_t j=nbefore; j<nafter; ++j) {
          edep -= ((*fvect)[j])->GetKineticEnergy();
        } 
      }
    }
  }
  // energy balance - excitation energy left
  if(edep > 0.0) {
    fParticleChange->ProposeLocalEnergyDeposit(edep);
  }
}

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void 
G4LivermorePhotoElectricModel::ReadData(G4int Z, const char* path)
{
  if (verboseLevel > 1) 
  {
    G4cout << "Calling ReadData() of G4LivermoreGammaConversionModel" 
           << G4endl;
  }

  if(fCrossSection[Z]) { return; }
  
  const char* datadir = path;

  if(!datadir) 
  {
    datadir = getenv("G4LEDATA");
    if(!datadir) 
    {
      G4Exception("G4LivermorePhotoElectricModel::ReadData()",
                  "em0006",FatalException,
                  "Environment variable G4LEDATA not defined");
      return;
    }
  }

  // spline for photoeffect total x-section above K-shell
  fCrossSection[Z] = new G4LPhysicsFreeVector();
  fCrossSection[Z]->SetSpline(true);

  std::ostringstream ost;
  ost << datadir << "/livermore/phot/pe-cs-" << Z <<".dat";
  std::ifstream fin(ost.str().c_str());
  if( !fin.is_open()) {
    G4ExceptionDescription ed;
    ed << "G4LivermorePhotoElectricModel data file <" << ost.str().c_str()
       << "> is not opened!" << G4endl;
    G4Exception("G4LivermorePhotoElectricModel::ReadData()",
                "em0003",FatalException,
                ed,"G4LEDATA version should be G4EMLOW6.32 or later.");
    return;
  } else {
    if(verboseLevel > 3) { G4cout << "File " << ost.str().c_str() 
             << " is opened by G4LivermorePhotoElectricModel" << G4endl;}
    fCrossSection[Z]->Retrieve(fin, true);
    fCrossSection[Z]->ScaleVector(MeV, barn);
    fin.close();
  }

  // read fit parameters
  G4int n1 = 0;
  G4int n2 = 0;
  G4double x;
  std::ostringstream ost1;
  ost1 << datadir << "/livermore/phot/pe-" << Z <<".dat";
  std::ifstream fin1(ost1.str().c_str());
  if( !fin1.is_open()) {
    G4ExceptionDescription ed;
    ed << "G4LivermorePhotoElectricModel data file <" << ost1.str().c_str()
       << "> is not opened!" << G4endl;
    G4Exception("G4LivermorePhotoElectricModel::ReadData()",
                "em0003",FatalException,
                ed,"G4LEDATA version should be G4EMLOW6.32 or later.");
    return;
  } else {
    if(verboseLevel > 3) { 
      G4cout << "File " << ost1.str().c_str()
             << " is opened by G4LivermorePhotoElectricModel" << G4endl;
    }
    fin1 >> n1 >> n2 >> x;
    fNShells[Z] = n1;
    (fParam[Z]).reserve(6*n1+1);
    (fParam[Z]).push_back(x*MeV);
    for(G4int i=0; i<n1; ++i) {
      for(G4int j=0; j<6; ++j) {
        fin1 >> x;
        if(0 == j) { x *= MeV; }
        else       { x *= barn; }
        (fParam[Z]).push_back(x);
      }
    }
    fin1.close();
  }
  // there is a possibility to used only main shells
  if(nShellLimit < n2) { n2 = nShellLimit; }
  fShellCrossSection.InitialiseForComponent(Z, n2);
  fNShellsUsed[Z] = n2;

  if(1 < n2) {
    std::ostringstream ost2;
    ost2 << datadir << "/livermore/phot/pe-ss-cs-" << Z <<".dat";
    std::ifstream fin2(ost2.str().c_str());
    if( !fin2.is_open()) {
      G4ExceptionDescription ed;
      ed << "G4LivermorePhotoElectricModel data file <" << ost2.str().c_str()
         << "> is not opened!" << G4endl;
      G4Exception("G4LivermorePhotoElectricModel::ReadData()",
                  "em0003",FatalException,
                  ed,"G4LEDATA version should be G4EMLOW6.32 or later.");
      return;
    } else {
      if(verboseLevel > 3) { 
        G4cout << "File " << ost2.str().c_str()
               << " is opened by G4LivermorePhotoElectricModel" << G4endl;
      }

      G4int n3, n4;
      G4double y;
      for(G4int i=0; i<n2; ++i) {
        fin2 >> x >> y >> n3 >> n4;
        G4LPhysicsFreeVector* v = new G4LPhysicsFreeVector(n3, x, y);
        for(G4int j=0; j<n3; ++j) {
          fin2 >> x >> y;
          v->PutValues(j, x*MeV, y*barn);
        }
        fShellCrossSection.AddComponent(Z, n4, v);
      }
      fin2.close();
    }
  }

  // no spline for photoeffect total x-section below K-shell
  if(1 < fNShells[Z]) {
    fCrossSectionLE[Z] = new G4LPhysicsFreeVector();

    std::ostringstream ost3;
    ost3 << datadir << "/livermore/phot/pe-le-cs-" << Z <<".dat";
    std::ifstream fin3(ost3.str().c_str());
    if( !fin3.is_open()) {
      G4ExceptionDescription ed;
      ed << "G4LivermorePhotoElectricModel data file <" << ost3.str().c_str()
         << "> is not opened!" << G4endl;
      G4Exception("G4LivermorePhotoElectricModel::ReadData()",
                  "em0003",FatalException,
                  ed,"G4LEDATA version should be G4EMLOW6.32 or later.");
      return;
    } else {
      if(verboseLevel > 3) { 
        G4cout << "File " << ost3.str().c_str() 
               << " is opened by G4LivermorePhotoElectricModel" << G4endl;
      }
      fCrossSectionLE[Z]->Retrieve(fin3, true);
      fCrossSectionLE[Z]->ScaleVector(MeV, barn);
      fin3.close();
    }
  }
}

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