G4PenelopeIonisationCrossSection.cc

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// $Id$
//
// Author: Luciano Pandola
//
// History:
// --------
// 14 Mar 2012   L Pandola    First complete implementation for e-
//
//
//
#include "G4PenelopeOscillatorManager.hh"
#include "G4SystemOfUnits.hh"
#include "G4PenelopeIonisationCrossSection.hh"
#include "G4PenelopeIonisationXSHandler.hh"
#include "G4PenelopeCrossSection.hh"
#include "G4Electron.hh"
#include "G4AtomicTransitionManager.hh"

G4PenelopeIonisationCrossSection::G4PenelopeIonisationCrossSection() : 
  G4VhShellCrossSection("Penelope"),shellIDTable(0),
  theCrossSectionHandler(0)
{ 
  oscManager = G4PenelopeOscillatorManager::GetOscillatorManager();
  nMaxLevels = 9;

  // Verbosity scale:
  // 0 = nothing
  // 1 = calculation of cross sections, file openings, sampling of atoms
  // 2 = entering in methods
  verboseLevel = 0;

  fLowEnergyLimit  = 10.0*eV;
  fHighEnergyLimit = 100.0*GeV;

  transitionManager = G4AtomicTransitionManager::Instance();
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
G4PenelopeIonisationCrossSection::~G4PenelopeIonisationCrossSection()
{
  if (theCrossSectionHandler)
    delete theCrossSectionHandler;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....

G4double G4PenelopeIonisationCrossSection::CrossSection(G4int Z,
                            G4AtomicShellEnumerator shell,
                            G4double incidentEnergy,
                            G4double ,
                            const G4Material* material)
{
  if (verboseLevel > 1)    
    G4cout << "Entering in method G4PenelopeIonisationCrossSection::CrossSection()" << G4endl;
        
  G4double cross = 0.;

  //Material pointer is not available
  if (!material)
    {
      //CRASH!
      G4ExceptionDescription ed;
      ed << "The method has been called with a NULL G4Material pointer" << G4endl;
      G4Exception("G4PenelopeIonisationCrossSection::CrossSection()","em2042",
          FatalException,ed);
      return cross;
    }

  if (!theCrossSectionHandler)
    theCrossSectionHandler = new G4PenelopeIonisationXSHandler();

  G4int nmax = std::min(nMaxLevels,transitionManager->NumberOfShells(Z));

  if(G4int(shell) < nmax && 
     incidentEnergy >= fLowEnergyLimit && incidentEnergy <= fHighEnergyLimit) 
    {
      //The shells in Penelope are organized per *material*, rather than per 
      //element, so given a material one has to find the proper index for the 
      //given Z and shellID. An appropriate lookup table is used to avoid 
      //recalculation.
      G4int index = FindShellIDIndex(material,Z,shell);

      //Index is not available!
      if (index < 0)
    return cross;

      G4PenelopeCrossSection* theXS = 
    theCrossSectionHandler->GetCrossSectionTableForCouple(G4Electron::Electron(),
                                  material,
                                  0.);

      //Cross check that everything is fine:
      G4PenelopeOscillator* theOsc = oscManager->GetOscillatorIonisation(material,index);
      if (theOsc->GetParentZ() != Z || theOsc->GetShellFlag()-1 != G4int(shell))
    {
      //something went wrong!
      G4ExceptionDescription ed;
      ed << "There is something wrong here: it looks like the index is wrong" << G4endl;
      ed << "Requested: shell " << G4int(shell) << " and Z = " << Z << G4endl;
      ed << "Retrieved: " << theOsc->GetShellFlag()-1 << " and Z = " << theOsc->GetParentZ() << G4endl;   
      G4Exception("G4PenelopeIonisationCrossSection::CrossSection()","em2043",
              JustWarning,ed);
      return cross;
    }


      G4double crossPerMolecule = (theXS) ? theXS->GetShellCrossSection(index,incidentEnergy) : 0.;

      //Now it must be converted in cross section per atom. I need the number of 
      //atoms of the given Z per molecule.
      G4double atomsPerMolec = oscManager->GetNumberOfZAtomsPerMolecule(material,Z);
      if (atomsPerMolec)
    cross = crossPerMolecule/atomsPerMolec;
     

      if (verboseLevel > 0)
    {
      G4cout << "Cross section of shell " << G4int(shell) << " and Z= " << Z;
      G4cout << " of material: " << material->GetName() << " and energy = " << incidentEnergy/keV << " keV" << G4endl;
      G4cout << "--> " << cross/barn << " barn" << G4endl;
      G4cout << "Shell binding energy: " << theOsc->GetIonisationEnergy()/eV << " eV;" ;
      G4cout << " resonance energy: " << theOsc->GetResonanceEnergy()/eV << "eV" << G4endl;
       if (verboseLevel > 2)
         {
           G4cout << "Cross section per molecule: " << crossPerMolecule/barn << " barn" << G4endl;
           G4cout << "Atoms " << Z << " per molecule: " << atomsPerMolec << G4endl;
         }
    }     
    }  
  
  return cross;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
std::vector<G4double> 
G4PenelopeIonisationCrossSection::GetCrossSection(G4int Z,
                          G4double kinEnergy,
                          G4double, G4double, 
                          const G4Material* mat)
{
  G4int nmax = std::min(nMaxLevels,transitionManager->NumberOfShells(Z));
  std::vector<G4double> vec(nmax,0.0); 
  for(G4int i=0; i<nmax; ++i) {
    vec[i] = CrossSection(Z, G4AtomicShellEnumerator(i), kinEnergy,0.,mat); 
  }
  return vec;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....

std::vector<G4double> 
G4PenelopeIonisationCrossSection::Probabilities(G4int Z,
                                                 G4double kinEnergy,
                                                 G4double,
                                                 G4double,
                                                 const G4Material* mat)
{
  std::vector<G4double> vec = GetCrossSection(Z, kinEnergy,0,0,mat);
  size_t n = vec.size();
  size_t i=0;
  G4double sum = 0.0;
  for(i=0; i<n; ++i) { sum += vec[i]; }
  if(sum > 0.0) { 
    sum = 1.0/sum; 
    for(i=0; i<n; ++i) { vec[i] = vec[i]*sum; }
  }
  return vec;
}

//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....

G4int G4PenelopeIonisationCrossSection::FindShellIDIndex(const G4Material* mat,
                             G4int Z,
                             G4AtomicShellEnumerator shell)
{
   if (verboseLevel > 1)    
     G4cout << "Entering in method G4PenelopeIonisationCrossSection::FindShellIDIndex()" << G4endl;

  if (!shellIDTable)
    shellIDTable = new std::map< std::pair<const G4Material*,G4int>, G4DataVector*>;
 
  std::pair<const G4Material*,G4int> theKey = std::make_pair(mat,Z);
  G4int result = -1;
  G4int ishell = G4int(shell);
  
  if (shellIDTable->count(theKey)) //table already built, and containing the element
    {   
      if (verboseLevel > 2)
    G4cout << "FindShellIDIndex: Table already built for " << mat->GetName() << G4endl;
      G4DataVector* theVec = shellIDTable->find(theKey)->second;
         
      if (ishell>=0 && ishell < (G4int) theVec->size()) //check we are not off-boundary
    result = (G4int) (*theVec)[ishell];    
      else
    {
      G4ExceptionDescription ed;
      ed << "Shell ID: " << ishell << " not available for material " << mat->GetName() << " and Z = " << 
        Z << G4endl;
      G4Exception("G4PenelopeIonisationCrossSection::FindShellIDIndex()","em2041",JustWarning,
              ed);
      return -1;
    }          
    }
  else
    {
      if (verboseLevel > 2)
    G4cout << "FindShellIDIndex: Table to be built for " << mat->GetName() << G4endl;
      //Not contained: look for it
      G4PenelopeOscillatorTable* theTable = oscManager->GetOscillatorTableIonisation(mat);
      size_t numberOfOscillators = theTable->size();
          
      //oscillator loop
      //initialize everything at -1
      G4DataVector* dat = new G4DataVector(nMaxLevels,-1);
      for (size_t iosc=0;iosc<numberOfOscillators;iosc++)
    {      
      G4PenelopeOscillator* theOsc = (*theTable)[iosc];
      //level is found!
      if (theOsc->GetParentZ() == Z)
        {
          //individual shells relative to the given material        
          G4int shFlag = theOsc->GetShellFlag();      
          //Notice: GetShellFlag() starts from 1, the G4AtomicShellEnumerator from 0
          if (shFlag < 30)
        (*dat)[shFlag-1] = (G4double) iosc; //index of the given shell
          if ((shFlag-1) == ishell) // this is what we were looking for
        result = (G4int) iosc;
        }      
    }
      shellIDTable->insert(std::make_pair(theKey,dat));
    }

  if (verboseLevel > 1)    
    G4cout << "Leaving method G4PenelopeIonisationCrossSection::FindShellIDIndex() with index = " << result << G4endl;

  return result;
  
}