G4AtomicTransitionManager.cc

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//
//
//
// Authors: Elena Guardincerri ([email protected])
//          Alfonso Mantero ([email protected])
//
// History:
// -----------
// 16 Sep 2001 E. Guardincerri  First Committed to cvs
//
// -------------------------------------------------------------------
 
#include "G4AtomicTransitionManager.hh"
#include "G4EmParameters.hh"
#include "G4FluoData.hh"
#include "G4AugerData.hh"
#include "G4AutoLock.hh"
namespace { G4Mutex AtomicTransitionManagerMutex = G4MUTEX_INITIALIZER; }
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4AtomicTransitionManager* G4AtomicTransitionManager::instance = nullptr;
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4AtomicTransitionManager* G4AtomicTransitionManager::Instance()
{
  if (instance == nullptr) {
    instance = new G4AtomicTransitionManager();
  }
  return instance;
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4AtomicTransitionManager::G4AtomicTransitionManager()
 : augerData(nullptr),
   verboseLevel(0),
   isInitialized(false)
{}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4AtomicTransitionManager::~G4AtomicTransitionManager()
{ 
  delete augerData;
 
  for (auto& pos : shellTable){
    std::vector<G4AtomicShell*>vec = pos.second;
    std::size_t vecSize = vec.size();   
    for (std::size_t i=0; i< vecSize; ++i){
      G4AtomicShell* shell = vec[i];
      delete shell;     
    }
  }
 
  for (auto& ppos : transitionTable)
    {
      std::vector<G4FluoTransition*>vec = ppos.second;
      std::size_t vecSize=vec.size();
   
      for (std::size_t i=0; i< vecSize; ++i){
    G4FluoTransition* transition = vec[i];
    delete transition;      
      }
    }   
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4AtomicShell* 
G4AtomicTransitionManager::Shell(G4int Z, size_t shellIndex) const
{   
  auto pos = shellTable.find(Z);
  
  if (pos!= shellTable.end())
    {
      std::vector<G4AtomicShell*> v = (*pos).second;
      if (shellIndex < v.size()) { return v[shellIndex]; }
 
      else 
    {
      size_t lastShell = v.size();
      G4ExceptionDescription ed;
      ed << "No de-excitation for Z= " << Z 
         << "  shellIndex= " << shellIndex
         << ">=  numberOfShells= " << lastShell;
      if (verboseLevel > 0) 
              G4Exception("G4AtomicTransitionManager::Shell()","de0001",
        JustWarning,ed," AtomicShell not found");
      if (lastShell > 0) { return v[lastShell - 1]; }
    }
    }
  else
    {
      G4ExceptionDescription ed;
      ed << "No de-excitation for Z= " << Z 
     << "  shellIndex= " << shellIndex
     << ". AtomicShell not found - check if data are uploaded";
      G4Exception("G4AtomicTransitionManager::Shell()","de0001",
          FatalException,ed,"");
    } 
  return 0;
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
// This function gives, upon Z and the Index of the initial shell where 
// the vacancy is, the radiative transition that can happen (originating 
// shell, energy, probability)
const G4FluoTransition* 
G4AtomicTransitionManager::ReachableShell(G4int Z,size_t shellIndex) const
{
  auto pos = transitionTable.find(Z);
  if (pos!= transitionTable.end())
    {
      std::vector<G4FluoTransition*> v = (*pos).second;      
      if (shellIndex < v.size()) { return(v[shellIndex]); }
 
      else {
    G4ExceptionDescription ed;
    ed << "No fluo transition for Z= " << Z 
       << "  shellIndex= " << shellIndex;
    G4Exception("G4AtomicTransitionManager::ReachebleShell()","de0002", 
            FatalException,ed,"");
      }
    } 
  else 
    {
      G4ExceptionDescription ed;
      ed << "No transition table for Z= " << Z 
     << "  shellIndex= " << shellIndex;
      G4Exception("G4AtomicTransitionManager::ReachableShell()","de0001",
          FatalException,ed,"");
    } 
  return 0;
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
const G4AugerTransition* 
G4AtomicTransitionManager::ReachableAugerShell(G4int Z, 
                           G4int vacancyShellIndex) const
{
  return augerData->GetAugerTransition(Z,vacancyShellIndex);
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4int G4AtomicTransitionManager::NumberOfShells (G4int Z) const
{
  auto pos = shellTable.find(Z);
 
  std::size_t res = 0;
  if (pos != shellTable.cend()){
 
    res = ((*pos).second).size();
 
  } else {
    G4ExceptionDescription ed;
    ed << "No deexcitation for Z= " << Z;
    G4Exception("G4AtomicTransitionManager::NumberOfShells()","de0001",
        FatalException, ed, "");
  } 
  return (G4int)res;
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
// This function returns the number of possible radiative transitions for 
// the atom with atomic number Z i.e. the number of shell in wich a vacancy 
// can be filled with a radiative transition 
G4int G4AtomicTransitionManager::NumberOfReachableShells(G4int Z) const
{
  auto pos = transitionTable.find(Z);
  std::size_t res = 0;
  if (pos!= transitionTable.cend())
    {
      res = ((*pos).second).size();
    }
  else
    {
      G4ExceptionDescription ed;
      ed << "No deexcitation for Z= " << Z
     << ", so energy deposited locally";
      G4Exception("G4AtomicTransitionManager::NumberOfReachebleShells()",
          "de0001",FatalException,ed,"");
    } 
  return (G4int)res;
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
// This function returns the number of possible NON-radiative transitions 
// for the atom with atomic number Z i.e. the number of shell in wich a 
// vacancy can be filled with a NON-radiative transition 
G4int G4AtomicTransitionManager::NumberOfReachableAugerShells(G4int Z)const 
{
  return (G4int)augerData->NumberOfVacancies(Z);
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4double G4AtomicTransitionManager::TotalRadiativeTransitionProbability(
         G4int Z, size_t shellIndex) const
{
  auto pos = transitionTable.find(Z);
  G4double totalRadTransProb = 0.0;
 
  if (pos!= transitionTable.end())
    {
      std::vector<G4FluoTransition*> v = (*pos).second;
      
      if (shellIndex < v.size())
    {
      G4FluoTransition* transition = v[shellIndex];
      G4DataVector transProb = transition->TransitionProbabilities();
    
      for (size_t j=0; j<transProb.size(); ++j) 
        {
          totalRadTransProb += transProb[j];
        }
    }
      else 
    {
      G4ExceptionDescription ed;
      ed << "Zero transition probability for Z=" << Z 
         << "  shellIndex= " << shellIndex;
      G4Exception(
      "G4AtomicTransitionManager::TotalRadiativeTransitionProbability()",
      "de0002",FatalException,"Incorrect de-excitation");
    }
    }
  else
    {
      G4ExceptionDescription ed;
      ed << "No deexcitation for Z=" << Z 
     << "  shellIndex= " << shellIndex;
      G4Exception(
      "G4AtomicTransitionManager::TotalRadiativeTransitionProbability()",
      "de0001",FatalException,ed,"Cannot compute transition probability");
    } 
  return totalRadTransProb;
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4double G4AtomicTransitionManager::TotalNonRadiativeTransitionProbability(
                 G4int Z, size_t shellIndex) const
{
  G4double prob = 1.0 - TotalRadiativeTransitionProbability(Z, shellIndex);
  if(prob > 1.0 || prob < 0.0) {
    G4ExceptionDescription ed;
    ed << "Total probability mismatch Z= " << Z 
       << "  shellIndex= " << shellIndex
       << "  prob= " << prob;
    G4Exception( 
    "G4AtomicTransitionManager::TotalNonRadiativeTransitionProbability()",
    "de0003",FatalException,ed,"Cannot compute non-radiative probability");
    return 0.0;
  }
  return prob;    
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
void G4AtomicTransitionManager::Initialise()
{
  if(isInitialized) { return; }
  G4AutoLock l(&AtomicTransitionManagerMutex);
 
  if(isInitialized) { return; }
  isInitialized = true;
 
  // Selection of fluorescence files
  
  G4String defaultDirectory = "/fluor";
  G4String fluoDirectory = defaultDirectory;
  G4String bindingDirectory = defaultDirectory;
  G4EmFluoDirectory fdir = G4EmParameters::Instance()->FluoDirectory();
  G4int zLim = zMax + 1;
  if(fdir == fluoBearden) {
    zMax = 100;
    supTableLimit = 100;
    bindingDirectory = fluoDirectory = "/fluor_Bearden";
  } else if(fdir == fluoANSTO) {
    zLim = 93;
    fluoDirectory = "/fluor_ANSTO";
  } else if(fdir == fluoXDB_EADL) {
    zMax = 100;
    supTableLimit = 100;
    bindingDirectory = fluoDirectory = "/fluor_XDB_EADL";
  }
 
  // infTableLimit is initialized to 6 because EADL lacks data for Z<=5
  G4ShellData* shellManager = new G4ShellData(1, zMax, false);
  shellManager->LoadData(bindingDirectory + "/binding");
 
  // initialization of the data for auger effect
  augerData = new G4AugerData;
  
  // Fills shellTable with the data from EADL, identities and binding 
  // energies of shells
  for (G4int Z = zMin; Z <= zMax; ++Z)
    {    
      std::vector<G4AtomicShell*> vectorOfShells;  
      G4int shellIndex = 0; 
 
      G4int numberOfShells = (G4int)shellManager->NumberOfShells(Z);
      for (shellIndex = 0; shellIndex<numberOfShells; ++shellIndex) 
    { 
      G4int shellId = shellManager->ShellId(Z,shellIndex);
      G4double bindingEnergy = shellManager->BindingEnergy(Z,shellIndex);
      G4AtomicShell * shell = new G4AtomicShell(shellId,bindingEnergy);
      vectorOfShells.push_back(shell);
    }
      shellTable[Z] = vectorOfShells;
    }
  
  // Fills transitionTable with the data on identities, transition 
  // energies and transition probabilities
  G4String dir = fluoDirectory;
  for (G4int Znum= infTableLimit; Znum<=supTableLimit; ++Znum)
    {  
      if (Znum == zLim) { dir = defaultDirectory; }
      G4FluoData* fluoManager = new G4FluoData(dir);
      std::vector<G4FluoTransition*> vectorOfTransitions;
      fluoManager->LoadData(Znum);
    
      G4int numberOfVacancies = (G4int)fluoManager->NumberOfVacancies();
      for(G4int vacancyIndex = 0; vacancyIndex<numberOfVacancies;  
      ++vacancyIndex)
    {
      std::vector<G4int> vectorOfIds;
      G4DataVector vectorOfEnergies;
      G4DataVector vectorOfProbabilities;
    
      G4int finalShell = fluoManager->VacancyId(vacancyIndex);
      G4int numberOfTransitions = (G4int)
                fluoManager->NumberOfTransitions(vacancyIndex);
      for (G4int origShellIndex = 0; origShellIndex < numberOfTransitions;
           ++origShellIndex)
        {
          G4int originatingShellId = 
        fluoManager->StartShellId(origShellIndex,vacancyIndex);
          vectorOfIds.push_back(originatingShellId);
        
          G4double transitionEnergy = 
        fluoManager->StartShellEnergy(origShellIndex,vacancyIndex);
          vectorOfEnergies.push_back(transitionEnergy);
          G4double transitionProbability = 
        fluoManager->StartShellProb(origShellIndex,vacancyIndex);
          vectorOfProbabilities.push_back(transitionProbability);
        }
      G4FluoTransition* transition = 
        new G4FluoTransition (finalShell,vectorOfIds,
                  vectorOfEnergies,vectorOfProbabilities);
      vectorOfTransitions.push_back(transition); 
    }
      transitionTable[Znum] = vectorOfTransitions;
      delete fluoManager;
    }
  delete shellManager;
  l.unlock();
}