G4EMDataSet.cc

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//
// History:
// -----------
// 31 Jul 2001   MGP        Created
//
// 15 Jul 2009   Nicolas A. Karakatsanis
//
//                           - New Constructor was added when logarithmic data are loaded as well
//                             to enhance CPU performance
//
//                           - Destructor was modified accordingly
//
//                           - LoadNonLogData method was created to load only the non-logarithmic data from G4EMLOW
//                             dataset. It is essentially performing the data loading operations as in the past.
//
//                           - LoadData method was revised in order to calculate the logarithmic values of the data
//                             It retrieves the data values from the G4EMLOW data files but, then, calculates the
//                             respective log values and loads them to seperate data structures. 
//
//                           - SetLogEnergiesData method was cretaed to set logarithmic values to G4 data vectors.
//                             The EM data sets, initialized this way, contain both non-log and log values.
//                             These initialized data sets can enhance the computing performance of data interpolation
//                             operations
//
// 26 Dec 2010 V.Ivanchenko Fixed Coverity warnings and cleanup logic
//
// -------------------------------------------------------------------
 
#include "G4EMDataSet.hh"
#include "G4VDataSetAlgorithm.hh"
#include <fstream>
#include <sstream>
#include "G4Integrator.hh"
#include "Randomize.hh"
#include "G4LinInterpolation.hh"
 
G4EMDataSet::G4EMDataSet(G4int Z, 
             G4VDataSetAlgorithm* algo, 
             G4double xUnit, 
             G4double yUnit,
             G4bool random):  
  energies(nullptr),
  data(nullptr),
  log_energies(nullptr),
  log_data(nullptr),
  algorithm(algo),
  pdf(nullptr),
  unitEnergies(xUnit),
  unitData(yUnit), 
  z(Z),
  randomSet(random)
{
  if (algorithm == nullptr) {
    G4Exception("G4EMDataSet::G4EMDataSet",
            "em1012",FatalException,"interpolation == 0");
  } else if (randomSet) { BuildPdf(); }
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
G4EMDataSet::G4EMDataSet(G4int argZ, 
             G4DataVector* dataX, 
             G4DataVector* dataY, 
             G4VDataSetAlgorithm* algo, 
             G4double xUnit, 
             G4double yUnit,
             G4bool random):
  energies(dataX),
  data(dataY),
  log_energies(nullptr),
  log_data(nullptr),
  algorithm(algo),
  pdf(nullptr),
  unitEnergies(xUnit),
  unitData(yUnit), 
  z(argZ),
  randomSet(random)
{
  if (!algorithm || !energies || !data) {
    G4Exception("G4EMDataSet::G4EMDataSet",
            "em1012",FatalException,"interpolation == 0");
  } else {
    if (energies->size() != data->size()) { 
      G4Exception("G4EMDataSet::G4EMDataSet",
          "em1012",FatalException,"different size for energies and data");
    } else if (randomSet) {
      BuildPdf();
    }
  }
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
G4EMDataSet::G4EMDataSet(G4int argZ, 
             G4DataVector* dataX, 
             G4DataVector* dataY,
                         G4DataVector* dataLogX,
                         G4DataVector* dataLogY, 
             G4VDataSetAlgorithm* algo, 
             G4double xUnit, 
             G4double yUnit,
             G4bool random):
  energies(dataX),
  data(dataY),
  log_energies(dataLogX),
  log_data(dataLogY),
  algorithm(algo),
  pdf(nullptr),
  unitEnergies(xUnit),
  unitData(yUnit),
  z(argZ),
  randomSet(random)
{
  if (!algorithm || !energies || !data || !log_energies || !log_data) {
    G4Exception("G4EMDataSet::G4EMDataSet",
            "em1012",FatalException,"interpolation == 0");
  } else {
    if ((energies->size() != data->size()) ||
    (energies->size() != log_energies->size()) ||
    (energies->size() != log_data->size())) { 
      G4Exception("G4EMDataSet::G4EMDataSet",
          "em1012",FatalException,"different size for energies and data");
    } else if (randomSet) {
      BuildPdf();
    }
  }
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
G4EMDataSet::~G4EMDataSet()
{ 
  delete algorithm;
  delete energies; 
  delete data; 
  delete pdf; 
  delete log_energies; 
  delete log_data; 
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
G4double G4EMDataSet::FindValue(G4double energy, G4int /* componentId */) const
{
  if (energy <= (*energies)[0]) {
    return (*data)[0];
  }
  size_t i = energies->size()-1;
  if (energy >= (*energies)[i]) { return (*data)[i]; }
 
  //Nicolas A. Karakatsanis: Check if the logarithmic data have been loaded to decide
  //                         which Interpolation-Calculation method will be applied
  if (log_energies != nullptr) 
   {
     return algorithm->Calculate(energy, FindLowerBound(energy), *energies, *data, *log_energies, *log_data);
   }
 
  return algorithm->Calculate(energy, FindLowerBound(energy), *energies, *data);
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
void G4EMDataSet::PrintData(void) const
{
  size_t size = energies->size();
  for (size_t i(0); i<size; i++)
    {
      G4cout << "Point: " << ((*energies)[i]/unitEnergies)
         << " - Data value: " << ((*data)[i]/unitData);
      if (pdf != 0) G4cout << " - PDF : " << (*pdf)[i];
      G4cout << G4endl; 
    }
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
void G4EMDataSet::SetEnergiesData(G4DataVector* dataX, 
                  G4DataVector* dataY, 
                  G4int /* componentId */)
{
  if(!dataX || !dataY) {
    G4Exception("G4EMDataSet::SetEnergiesData",
            "em1012",FatalException,"new interpolation == 0");
  } else {
    if (dataX->size() != dataY->size()) { 
      G4Exception("G4EMDataSet::SetEnergiesData",
          "em1012",FatalException,"different size for energies and data");
    } else {
 
      delete energies; 
      energies = dataX;
 
      delete data; 
      data = dataY;
      //G4cout << "Size of energies: " << energies->size() << G4endl 
      //<< "Size of data: " << data->size() << G4endl;
    }
  } 
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
void G4EMDataSet::SetLogEnergiesData(G4DataVector* dataX,
                                     G4DataVector* dataY,
                                     G4DataVector* data_logX, 
                     G4DataVector* data_logY,
                                     G4int /* componentId */)
{
  if(!dataX || !dataY || !data_logX || !data_logY) {
    G4Exception("G4EMDataSet::SetEnergiesData",
            "em1012",FatalException,"new interpolation == 0");
  } else {
    if (dataX->size() != dataY->size() ||
    dataX->size() != data_logX->size() ||
    dataX->size() != data_logY->size()) {
      G4Exception("G4EMDataSet::SetEnergiesData",
          "em1012",FatalException,"different size for energies and data");
    } else {
 
      delete energies; 
      energies = dataX;
 
      delete data; 
      data = dataY;
 
      delete log_energies; 
      log_energies = data_logX;
 
      delete log_data; 
      log_data = data_logY;
      //G4cout << "Size of energies: " << energies->size() << G4endl 
      //<< "Size of data: " << data->size() << G4endl;
    }
  } 
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
G4bool G4EMDataSet::LoadData(const G4String& fileName)
{
 // The file is organized into four columns:
 // 1st column contains the values of energy
 // 2nd column contains the corresponding data value
 // The file terminates with the pattern: -1   -1
 //                                       -2   -2
 
  G4String fullFileName(FullFileName(fileName));
  std::ifstream in(fullFileName);
 
  if (!in.is_open())
    {
      G4String message("data file \"");
      message += fullFileName;
      message += "\" not found";
      G4Exception("G4EMDataSet::LoadData",
            "em1012",FatalException,message);
      return false;
    }
 
  delete energies;
  delete data;   
  delete log_energies;
  delete log_data;   
  energies = new G4DataVector;
  data = new G4DataVector;
  log_energies = new G4DataVector;
  log_data = new G4DataVector;
 
  G4double a, b;
  do
    {
      in >> a >> b;
  
      if (a != -1 && a != -2)
    {
      if (a==0.) { a=1e-300; }
      if (b==0.) { b=1e-300; }
          a *= unitEnergies;
          b *= unitData;
      energies->push_back(a);
      log_energies->push_back(std::log10(a));
      data->push_back(b);
      log_data->push_back(std::log10(b));
    }
    }
  while (a != -2);
 
  if (randomSet) { BuildPdf(); }
 
  return true;
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
G4bool G4EMDataSet::LoadNonLogData(const G4String& fileName)
{
 // The file is organized into four columns:
 // 1st column contains the values of energy
 // 2nd column contains the corresponding data value
 // The file terminates with the pattern: -1   -1
 //                                       -2   -2
 
  G4String fullFileName(FullFileName(fileName));
  std::ifstream in(fullFileName);
  if (!in.is_open())
    {
      G4String message("data file \"");
      message += fullFileName;
      message += "\" not found";
      G4Exception("G4EMDataSet::LoadNonLogData",
            "em1012",FatalException,message);
    }
 
  G4DataVector* argEnergies=new G4DataVector;
  G4DataVector* argData=new G4DataVector;
 
  G4double a;
  G4int k = 0;
  G4int nColumns = 2;
 
  do
    {
      in >> a;
  
      if (a != -1 && a != -2)
    {
      if (k%nColumns == 0)
            {
         argEnergies->push_back(a*unitEnergies);
            }
      else if (k%nColumns == 1)
            {
         argData->push_back(a*unitData);
            }
          k++;
    }
    }
  while (a != -2);
 
  SetEnergiesData(argEnergies, argData, 0);
 
  if (randomSet) BuildPdf();
 
  return true;
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
G4bool G4EMDataSet::SaveData(const G4String& name) const
{
  // The file is organized into two columns:
  // 1st column is the energy
  // 2nd column is the corresponding value
  // The file terminates with the pattern: -1   -1
  //                                       -2   -2
 
  G4String fullFileName(FullFileName(name));
  std::ofstream out(fullFileName);
 
  if (!out.is_open())
    {
      G4String message("cannot open \"");
      message+=fullFileName;
      message+="\"";
      G4Exception("G4EMDataSet::SaveData",
            "em1012",FatalException,message);
    }
 
  out.precision(10);
  out.width(15);
  out.setf(std::ofstream::left);
  
  if (energies!=0 && data!=0)
    {
      G4DataVector::const_iterator i(energies->begin());
      G4DataVector::const_iterator endI(energies->end());
      G4DataVector::const_iterator j(data->begin());
  
      while (i!=endI)
    {
      out.precision(10);
      out.width(15);
      out.setf(std::ofstream::left);
      out << ((*i)/unitEnergies) << ' ';
 
      out.precision(10);
      out.width(15);
      out.setf(std::ofstream::left);
      out << ((*j)/unitData) << std::endl;
 
      i++;
      j++;
    }
    }
 
  out.precision(10);
  out.width(15);
  out.setf(std::ofstream::left);
  out << -1.f << ' ';
 
  out.precision(10);
  out.width(15);
  out.setf(std::ofstream::left);
  out << -1.f << std::endl;
 
  out.precision(10);
  out.width(15);
  out.setf(std::ofstream::left);
  out << -2.f << ' ';
 
  out.precision(10);
  out.width(15);
  out.setf(std::ofstream::left);
  out << -2.f << std::endl;
 
  return true;
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
size_t G4EMDataSet::FindLowerBound(G4double x) const
{
  size_t lowerBound = 0;
  size_t upperBound(energies->size() - 1);
  
  while (lowerBound <= upperBound) 
    {
      size_t midBin((lowerBound + upperBound) / 2);
 
      if (x < (*energies)[midBin]) upperBound = midBin - 1;
      else lowerBound = midBin + 1;
    }
  
  return upperBound;
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
size_t G4EMDataSet::FindLowerBound(G4double x, G4DataVector* values) const
{
  size_t lowerBound = 0;;
  size_t upperBound(values->size() - 1);
  
  while (lowerBound <= upperBound) 
    {
      size_t midBin((lowerBound + upperBound) / 2);
 
      if (x < (*values)[midBin]) upperBound = midBin - 1;
      else lowerBound = midBin + 1;
    }
  
  return upperBound;
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
G4String G4EMDataSet::FullFileName(const G4String& name) const
{
  char* path = std::getenv("G4LEDATA");
  if (!path) {
     G4Exception("G4EMDataSet::FullFileName",
            "em0006",FatalException,"G4LEDATA environment variable not set");
    return "";
  }
  std::ostringstream fullFileName;
  fullFileName << path << '/' << name << z << ".dat";
                      
  return G4String(fullFileName.str().c_str());
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
void G4EMDataSet::BuildPdf() 
{
  pdf = new G4DataVector;
  G4Integrator <G4EMDataSet, G4double(G4EMDataSet::*)(G4double)> integrator;
 
  G4int nData = data->size();
  pdf->push_back(0.);
 
  // Integrate the data distribution 
  G4int i;
  G4double totalSum = 0.;
  for (i=1; i<nData; i++)
    {
      G4double xLow = (*energies)[i-1];
      G4double xHigh = (*energies)[i];
      G4double sum = integrator.Legendre96(this, &G4EMDataSet::IntegrationFunction, xLow, xHigh);
      totalSum = totalSum + sum;
      pdf->push_back(totalSum);
    }
 
  // Normalize to the last bin
  G4double tot = 0.;
  if (totalSum > 0.) tot = 1. / totalSum;
  for (i=1;  i<nData; i++)
    {
      (*pdf)[i] = (*pdf)[i] * tot;
    }
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
G4double G4EMDataSet::RandomSelect(G4int /* componentId */) const
{
  G4double value = 0.;
  // Random select a X value according to the cumulative probability distribution
  // derived from the data
 
  if (!pdf) {
    G4Exception("G4EMDataSet::RandomSelect",
            "em1012",FatalException,"PDF has not been created for this data set");
    return value;
  }
 
  G4double x = G4UniformRand();
 
  // Locate the random value in the X vector based on the PDF
  size_t bin = FindLowerBound(x,pdf);
 
  // Interpolate the PDF to calculate the X value: 
  // linear interpolation in the first bin (to avoid problem with 0),
  // interpolation with associated data set algorithm in other bins
  G4LinInterpolation linearAlgo;
  if (bin == 0) value = linearAlgo.Calculate(x, bin, *pdf, *energies);
  else value = algorithm->Calculate(x, bin, *pdf, *energies);
 
  return value;
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
 
G4double G4EMDataSet::IntegrationFunction(G4double x)
{
  // This function is needed by G4Integrator to calculate the integral of the data distribution
  G4double y = 0;
 
  // Locate the random value in the X vector based on the PDF
  size_t bin = FindLowerBound(x);
 
  // Interpolate to calculate the X value: 
  // linear interpolation in the first bin (to avoid problem with 0),
  // interpolation with associated algorithm in other bins
 
  G4LinInterpolation linearAlgo;
  
  if (bin == 0) y = linearAlgo.Calculate(x, bin, *energies, *data);
  else y = algorithm->Calculate(x, bin, *energies, *data);
 
  return y;
}