G4ShellData Class Reference

#include <G4ShellData.hh>

Public Member Functions
G4double	BindingEnergy (G4int Z, G4int shellIndex) const
	G4ShellData (const G4ShellData &)=delete
	G4ShellData (G4int minZ=1, G4int maxZ=100, G4bool isOccupancy=false)
void	LoadData (const G4String &fileName)
size_t	NumberOfShells (G4int Z) const
G4ShellData &	operator= (const G4ShellData &right)=delete
void	PrintData () const
G4int	SelectRandomShell (G4int Z) const
void	SetOccupancyData ()
G4int	ShellId (G4int Z, G4int shellIndex) const
const std::vector< G4double > &	ShellIdVector (G4int Z) const
G4double	ShellOccupancyProbability (G4int Z, G4int shellIndex) const
	~G4ShellData ()

Private Member Functions
const std::vector< G4double > &	ShellVector (G4int Z) const

Private Attributes
std::map< G4int, G4DataVector *, std::less< G4int > >	bindingMap
std::map< G4int, std::vector< G4double > *, std::less< G4int > >	idMap
std::vector< G4int >	nShells
G4bool	occupancyData
std::map< G4int, std::vector< G4double > *, std::less< G4int > >	occupancyPdfMap
G4int	zMax
G4int	zMin

Detailed Description

Definition at line 51 of file G4ShellData.hh.

Constructor & Destructor Documentation

G4ShellData() [1/2]

G4ShellData::G4ShellData ( G4int  minZ = 1, G4int  maxZ = 100, G4bool  isOccupancy = false  )

explicit

Definition at line 50 of file G4ShellData.cc.

  : zMin(minZ), zMax(maxZ), occupancyData(isOccupancy)
{  }

~G4ShellData()

G4ShellData::~G4ShellData

(

)

Definition at line 56 of file G4ShellData.cc.

{
  for (auto& pos : idMap)
    {
      std::vector<G4double>* dataSet = pos.second;
      delete dataSet;
    }
  for (auto& pos2 : bindingMap) 
    {
      G4DataVector* dataSet = pos2.second;
      delete dataSet;
    }
 
  if (occupancyData)
    {
      for (auto& pos3 : occupancyPdfMap)
    {
      std::vector<G4double>* dataSet = pos3.second;
      delete dataSet;
    }
    }
}

References bindingMap, idMap, occupancyData, occupancyPdfMap, and pos.

G4ShellData() [2/2]

G4ShellData::G4ShellData ( const G4ShellData &  )

delete

Member Function Documentation

BindingEnergy()

G4double G4ShellData::BindingEnergy	(	G4int	Z,
		G4int	shellIndex
	)		const

Definition at line 161 of file G4ShellData.cc.

{
  G4double value = 0.;
 
  if (Z >= zMin && Z <= zMax)
    {
      auto pos = bindingMap.find(Z);
      if (pos!= bindingMap.end())
    {
      G4DataVector dataSet = *((*pos).second);
      G4int nData = dataSet.size();
      if (shellIndex >= 0 && shellIndex < nData)
        {
          value = dataSet[shellIndex];
        }
    }
    }
  return value;
}

References bindingMap, pos, Z, zMax, and zMin.

Referenced by G4AtomicTransitionManager::Initialise(), G4LivermoreComptonModel::SampleSecondaries(), G4LivermorePolarizedComptonModel::SampleSecondaries(), G4LowEPComptonModel::SampleSecondaries(), and G4LowEPPolarizedComptonModel::SampleSecondaries().

LoadData()

void G4ShellData::LoadData

(

const G4String &

fileName

)

Definition at line 228 of file G4ShellData.cc.

{ 
  // Build the complete string identifying the file with the data set
  std::ostringstream ost;
  ost << fileName << ".dat";
  // G4cout << fileName << G4endl;
  G4String name(ost.str());
  
  char* path = std::getenv("G4LEDATA");
  if (!path)
    { 
      G4String excep("G4ShellData::LoadData()");
      G4Exception(excep,"em0006",FatalException,"Please set G4LEDATA");
      return;
    }
  
  G4String pathString(path);
  G4String dirFile = pathString + name;
  std::ifstream file(dirFile);
  std::filebuf* lsdp = file.rdbuf();
 
  if (! (lsdp->is_open()) )
    {
 
      G4String excep = "G4ShellData::LoadData()";
      G4String msg = "data file: " + dirFile + " not found";
      G4Exception(excep, "em0003",FatalException, msg );
      return;
    }
 
  G4double a = 0;
  G4int k = 1;
  G4int sLocal = 0;
  
  G4int Z = 1;
  G4DataVector* energies = new G4DataVector;
  std::vector<G4double>* ids = new std::vector<G4double>;
 
  do {
    file >> a;
    G4int nColumns = 2;
    if (a == -1)
      {
    if (sLocal == 0)
      {
        // End of a shell data set
        idMap[Z] = ids;
            bindingMap[Z] = energies;
            G4int n = ids->size();
        nShells.push_back(n);
        // Start of new shell data set
        
        ids = new std::vector<G4double>;
            energies = new G4DataVector;
            Z++;        
      }      
    sLocal++;
    if (sLocal == nColumns)
    {
      sLocal = 0;
    }
      }
 
    // moved out of the do-while since might go to a leak. 
    //    else if (a == -2)
    //      {
    // End of file; delete the empty vectors created when encountering the last -1 -1 row
    //  delete energies;
    //  delete ids;
    //nComponents = components.size();
    //      }
    else
      {
    // 1st column is shell id
    if(k%nColumns != 0)
      {     
        ids->push_back(a);
        k++;
      }
    else if (k%nColumns == 0)
      {
        // 2nd column is binding energy
        G4double e = a * MeV;
        energies->push_back(e);
        k = 1;
      }
      }
  } while (a != -2); // end of file
  file.close();    
  delete energies;
  delete ids;
 
  // For Doppler broadening: the data set contains shell occupancy and binding energy for each shell
  // Build additional map with probability for each shell based on its occupancy
 
  if (occupancyData)
    {
      // Build cumulative from raw shell occupancy
      for (G4int ZLocal=zMin; ZLocal <= zMax; ZLocal++)
    {
      std::vector<G4double> occupancy = ShellIdVector(ZLocal);
 
      std::vector<G4double>* prob = new std::vector<G4double>;
      G4double scale = 1. / G4double(ZLocal);
 
      prob->push_back(occupancy[0] * scale);
      for (size_t i=1; i<occupancy.size(); i++)
        {
          prob->push_back(occupancy[i]*scale + (*prob)[i-1]);
        }
      occupancyPdfMap[ZLocal] = prob;
    }
    }
}

References bindingMap, FatalException, geant4_check_module_cycles::file, G4Exception(), idMap, MeV, CLHEP::detail::n, G4InuclParticleNames::name(), nShells, occupancyData, occupancyPdfMap, ShellIdVector(), Z, zMax, and zMin.

Referenced by G4AtomicTransitionManager::Initialise(), G4LivermoreComptonModel::Initialise(), G4LivermorePolarizedComptonModel::Initialise(), G4LowEPComptonModel::Initialise(), and G4LowEPPolarizedComptonModel::Initialise().

NumberOfShells()

size_t G4ShellData::NumberOfShells

(

G4int

Z

)

const

Definition at line 81 of file G4ShellData.cc.

{
  G4int z = Z - 1;
  G4int n = 0;
 
  if (Z>= zMin && Z <= zMax)
    {
      n = nShells[z];
    }
  return n;
}

References CLHEP::detail::n, nShells, Z, zMax, and zMin.

Referenced by G4AtomicTransitionManager::Initialise(), and SelectRandomShell().

operator=()

G4ShellData & G4ShellData::operator= ( const G4ShellData &  right )

delete

PrintData()

void G4ShellData::PrintData

(

void

)

const

Definition at line 183 of file G4ShellData.cc.

{
  for (G4int Z = zMin; Z <= zMax; Z++)
    {
      G4cout << "---- Shell data for Z = "
         << Z
         << " ---- "
         << G4endl;
      G4int nSh = nShells[Z-1];
      auto posId = idMap.find(Z);
      std::vector<G4double>* ids = (*posId).second;
      auto posE = bindingMap.find(Z);
      G4DataVector* energies = (*posE).second;
      for (G4int i=0; i<nSh; ++i)
    {
      G4int id = (G4int) (*ids)[i];
      G4double e = (*energies)[i] / keV;
      G4cout << i << ") ";
 
      if (occupancyData) 
        {
          G4cout << " Occupancy: ";
        }
      else 
        {
          G4cout << " Shell id: ";
        }
      G4cout << id << " - Binding energy = "
         << e << " keV ";
        if (occupancyData)
          {
        auto posOcc = occupancyPdfMap.find(Z);
                std::vector<G4double> probs = *((*posOcc).second);
                G4double prob = probs[i];
        G4cout << "- Probability = " << prob;
          }
        G4cout << G4endl;
    }
      G4cout << "-------------------------------------------------" 
         << G4endl;
    }
}

References bindingMap, G4cout, G4endl, idMap, keV, nShells, occupancyData, occupancyPdfMap, Z, zMax, and zMin.

SelectRandomShell()

G4int G4ShellData::SelectRandomShell

(

G4int

Z

)

const

Definition at line 345 of file G4ShellData.cc.

{
  if (Z < zMin || Z > zMax) 
    G4Exception("G4ShellData::SelectrandomShell","de0001",FatalErrorInArgument, "Z outside boundaries");
 
  G4int shellIndex = 0;    
  std::vector<G4double> prob = ShellVector(Z);
  G4double random = G4UniformRand();
 
  // Binary search the shell with probability less or equal random
  G4int nShellsLocal = NumberOfShells(Z);
  G4int upperBound = nShellsLocal;
 
  while (shellIndex <= upperBound) 
    {
      G4int midShell = (shellIndex + upperBound) / 2;
      if ( random < prob[midShell] ) 
    upperBound = midShell - 1;
      else 
    shellIndex = midShell + 1;
    }  
  if (shellIndex >= nShellsLocal) shellIndex = nShellsLocal - 1;
 
  return shellIndex;
}

References FatalErrorInArgument, G4Exception(), G4UniformRand, NumberOfShells(), ShellVector(), Z, and zMax.

Referenced by G4LivermoreComptonModel::SampleSecondaries(), G4LivermorePolarizedComptonModel::SampleSecondaries(), G4LowEPComptonModel::SampleSecondaries(), and G4LowEPPolarizedComptonModel::SampleSecondaries().

SetOccupancyData()

void G4ShellData::SetOccupancyData ( )

inline

Definition at line 62 of file G4ShellData.hh.

{ occupancyData = true; }

References occupancyData.

Referenced by G4LivermoreComptonModel::Initialise(), G4LivermorePolarizedComptonModel::Initialise(), G4LowEPComptonModel::Initialise(), and G4LowEPPolarizedComptonModel::Initialise().

ShellId()

G4int G4ShellData::ShellId	(	G4int	Z,
		G4int	shellIndex
	)		const

Definition at line 118 of file G4ShellData.cc.

{
  G4int n = -1;
 
  if (Z >= zMin && Z <= zMax)
    {
      auto pos = idMap.find(Z);
      if (pos!= idMap.end())
    {
      std::vector<G4double> dataSet = *((*pos).second);
      G4int nData = dataSet.size();
      if (shellIndex >= 0 && shellIndex < nData)
        {
          n = (G4int) dataSet[shellIndex];
        }
    }
    }
  return n;
}

References idMap, CLHEP::detail::n, pos, Z, zMax, and zMin.

Referenced by G4AtomicTransitionManager::Initialise().

ShellIdVector()

const std::vector< G4double > & G4ShellData::ShellIdVector

(

G4int

Z

)

const

Definition at line 95 of file G4ShellData.cc.

{
  if (Z < zMin || Z > zMax) {    
    G4Exception("G4ShellData::ShellIdVector","de0001",FatalErrorInArgument, "Z outside boundaries");
  }  
  auto pos = idMap.find(Z);
  std::vector<G4double>* dataSet = (*pos).second;
  return *dataSet;
}

References FatalErrorInArgument, G4Exception(), idMap, pos, Z, and zMax.

Referenced by LoadData().

ShellOccupancyProbability()

G4double G4ShellData::ShellOccupancyProbability	(	G4int	Z,
		G4int	shellIndex
	)		const

Definition at line 140 of file G4ShellData.cc.

{
  G4double prob = -1.;
  if (Z >= zMin && Z <= zMax)
    {
      auto pos = idMap.find(Z);
      if (pos!= idMap.end())
    {
      std::vector<G4double> dataSet = *((*pos).second);
      G4int nData = dataSet.size();
      if (shellIndex >= 0 && shellIndex < nData)
        {
          prob = dataSet[shellIndex];
        }
    }
    }
  return prob;
}

References idMap, pos, Z, zMax, and zMin.

ShellVector()

const std::vector< G4double > & G4ShellData::ShellVector ( G4int  Z ) const

private

Definition at line 107 of file G4ShellData.cc.

{
  if (Z < zMin || Z > zMax) 
    G4Exception("G4ShellData::ShellVector()","de0001",JustWarning,"Z outside boundaries");
  auto pos = occupancyPdfMap.find(Z);
  std::vector<G4double>* dataSet = (*pos).second;
  return *dataSet;
}

References G4Exception(), JustWarning, occupancyPdfMap, pos, Z, and zMax.

Referenced by SelectRandomShell().

Field Documentation

bindingMap

std::map<G4int,G4DataVector*,std::less<G4int> > G4ShellData::bindingMap

private

Definition at line 77 of file G4ShellData.hh.

Referenced by BindingEnergy(), LoadData(), PrintData(), and ~G4ShellData().

idMap

std::map<G4int,std::vector<G4double>*,std::less<G4int> > G4ShellData::idMap

private

Definition at line 76 of file G4ShellData.hh.

Referenced by LoadData(), PrintData(), ShellId(), ShellIdVector(), ShellOccupancyProbability(), and ~G4ShellData().

nShells

std::vector<G4int> G4ShellData::nShells

private

Definition at line 78 of file G4ShellData.hh.

Referenced by LoadData(), NumberOfShells(), and PrintData().

occupancyData

G4bool G4ShellData::occupancyData

private

Definition at line 83 of file G4ShellData.hh.

Referenced by LoadData(), PrintData(), SetOccupancyData(), and ~G4ShellData().

occupancyPdfMap

std::map<G4int,std::vector<G4double>*,std::less<G4int> > G4ShellData::occupancyPdfMap

private

Definition at line 79 of file G4ShellData.hh.

Referenced by LoadData(), PrintData(), ShellVector(), and ~G4ShellData().

zMax

G4int G4ShellData::zMax

private

Definition at line 82 of file G4ShellData.hh.

Referenced by BindingEnergy(), LoadData(), NumberOfShells(), PrintData(), SelectRandomShell(), ShellId(), ShellIdVector(), ShellOccupancyProbability(), and ShellVector().

zMin

G4int G4ShellData::zMin

private

Definition at line 81 of file G4ShellData.hh.

Referenced by BindingEnergy(), LoadData(), NumberOfShells(), PrintData(), ShellId(), and ShellOccupancyProbability().

---

The documentation for this class was generated from the following files:

• source/processes/electromagnetic/lowenergy/include/G4ShellData.hh
• source/processes/electromagnetic/lowenergy/src/G4ShellData.cc