G4MicroElecCrossSectionDataSet.cc

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//
//  MR - 04/04/2012
//  Based on G4DNACrossSectionDataSet
// 


#include "G4MicroElecCrossSectionDataSet.hh"
#include "G4VDataSetAlgorithm.hh"
#include "G4EMDataSet.hh"
#include <vector>
#include <fstream>
#include <sstream>


G4MicroElecCrossSectionDataSet::G4MicroElecCrossSectionDataSet(G4VDataSetAlgorithm* argAlgorithm, 
                           G4double argUnitEnergies, 
                           G4double argUnitData)
  :
   algorithm(argAlgorithm), unitEnergies(argUnitEnergies), unitData(argUnitData)
{
  z = 0;

}


G4MicroElecCrossSectionDataSet::~G4MicroElecCrossSectionDataSet()
{
  CleanUpComponents();
 
  if (algorithm)
    delete algorithm;
}

G4bool G4MicroElecCrossSectionDataSet::LoadData(const G4String & argFileName)
{
  CleanUpComponents();

  G4String fullFileName(FullFileName(argFileName));
  std::ifstream in(fullFileName, std::ifstream::binary|std::ifstream::in);

  if (!in.is_open())
    {
      G4String message("Data file \"");
      message+=fullFileName;
      message+="\" not found";
      G4Exception("G4MicroElecCrossSectionDataSet::LoadData","em0003",
                      FatalException,message);
      return false;
    }

  std::vector<G4DataVector *> columns;
  std::vector<G4DataVector *> log_columns;

  std::stringstream *stream(new std::stringstream);
  char c;
  G4bool comment(false);
  G4bool space(true);
  G4bool first(true);

  try
    {
      while (!in.eof())
    {
      in.get(c);
   
      switch (c)
        {
        case '\r':
        case '\n':
          if (!first)
        {
          unsigned long i(0);
          G4double value;
      
          while (!stream->eof())
            {
              (*stream) >> value;
       
              while (i>=columns.size())
                        {
             columns.push_back(new G4DataVector);
                         log_columns.push_back(new G4DataVector);
                        }
      
              columns[i]->push_back(value);

// N. A. Karakatsanis
// A condition is applied to check if negative or zero values are present in the dataset.
// If yes, then a near-zero value is applied to allow the computation of the logarithmic value
// If a value is zero, this simplification is acceptable
// If a value is negative, then it is not acceptable and the data of the particular column of
// logarithmic values should not be used by interpolation methods.
//
// Therefore, G4LogLogInterpolation and G4LinLogLogInterpolation should not be used if negative values are present.
// Instead, G4LinInterpolation is safe in every case
// SemiLogInterpolation is safe only if the energy columns are non-negative
// G4LinLogInterpolation is safe only if the cross section data columns are non-negative

                      if (value <=0.) value = 1e-300;
                      log_columns[i]->push_back(std::log10(value));
       
              i++;
            }
      
          delete stream;
          stream=new std::stringstream;
        }
     
          first=true;
          comment=false;
          space=true;
          break;
     
        case '#':
          comment=true;
          break;
     
        case '\t':
          c=' ';
        case ' ':
          if (space)
        break;
        default:
          if (comment)
        break;
     
          if (c==' ')
        space=true;
          else
        {
          if (space && (!first))
            (*stream) << ' ';
      
          first=false;
          (*stream) << c;
          space=false;
        }
        }
    }
    }
  catch(const std::ios::failure &e)
    {
      // some implementations of STL could throw a "failture" exception
      // when read wants read characters after end of file
    }
 
  delete stream;
 
  std::vector<G4DataVector *>::size_type maxI(columns.size());
 
  if (maxI<2)
    {
      G4String message("Data file \"");
      message+=fullFileName;
      message+="\" should have at least two columns";
      G4Exception("G4MicroElecCrossSectionDataSet::LoadData","em0005",
                      FatalException,message);
      return false;
    }
 
  std::vector<G4DataVector*>::size_type i(1);
  while (i<maxI)
    {
      G4DataVector::size_type maxJ(columns[i]->size());

      if (maxJ!=columns[0]->size())
    {
      G4String message("Data file \"");
      message+=fullFileName;
      message+="\" has lines with a different number of columns";
      G4Exception("G4MicroElecCrossSectionDataSet::LoadData","em0005",
                      FatalException,message);
      return false;
    }

      G4DataVector::size_type j(0);

      G4DataVector *argEnergies=new G4DataVector;
      G4DataVector *argData=new G4DataVector;
      G4DataVector *argLogEnergies=new G4DataVector;
      G4DataVector *argLogData=new G4DataVector;

      while(j<maxJ)
    {
      argEnergies->push_back(columns[0]->operator[] (j)*GetUnitEnergies());
      argData->push_back(columns[i]->operator[] (j)*GetUnitData());
      argLogEnergies->push_back(log_columns[0]->operator[] (j) + std::log10(GetUnitEnergies()));
      argLogData->push_back(log_columns[i]->operator[] (j) + std::log10(GetUnitData()));
      j++;
    }

      AddComponent(new G4EMDataSet(i-1, argEnergies, argData, argLogEnergies, argLogData, GetAlgorithm()->Clone(), GetUnitEnergies(), GetUnitData()));
  
      i++;
    }

  i=maxI;
  while (i>0)
    {
      i--;
      delete columns[i];
      delete log_columns[i];
    }

  return true;
}


G4bool G4MicroElecCrossSectionDataSet::LoadNonLogData(const G4String & argFileName)
{
  CleanUpComponents();

  G4String fullFileName(FullFileName(argFileName));
  std::ifstream in(fullFileName, std::ifstream::binary|std::ifstream::in);

  if (!in.is_open())
    {
      G4String message("Data file \"");
      message+=fullFileName;
      message+="\" not found";
      G4Exception("G4MicroElecCrossSectionDataSet::LoadData","em0003",
                      FatalException,message);
      return false;
    }

  std::vector<G4DataVector *> columns;

  std::stringstream *stream(new std::stringstream);
  char c;
  G4bool comment(false);
  G4bool space(true);
  G4bool first(true);

  try
    {
      while (!in.eof())
    {
      in.get(c);
   
      switch (c)
        {
        case '\r':
        case '\n':
          if (!first)
        {
          unsigned long i(0);
          G4double value;
      
          while (!stream->eof())
            {
              (*stream) >> value;
       
              while (i>=columns.size())
                        {
             columns.push_back(new G4DataVector);
                        }
      
              columns[i]->push_back(value);
       
              i++;
            }
      
          delete stream;
          stream=new std::stringstream;
        }
     
          first=true;
          comment=false;
          space=true;
          break;
     
        case '#':
          comment=true;
          break;
     
        case '\t':
          c=' ';
        case ' ':
          if (space)
        break;
        default:
          if (comment)
        break;
     
          if (c==' ')
        space=true;
          else
        {
          if (space && (!first))
            (*stream) << ' ';
      
          first=false;
          (*stream) << c;
          space=false;
        }
        }
    }
    }
  catch(const std::ios::failure &e)
    {
      // some implementations of STL could throw a "failture" exception
      // when read wants read characters after end of file
    }
 
  delete stream;
 
  std::vector<G4DataVector *>::size_type maxI(columns.size());
 
  if (maxI<2)
    {
      G4String message("Data file \"");
      message+=fullFileName;
      message+="\" should have at least two columns";
      G4Exception("G4MicroElecCrossSectionDataSet::LoadData","em0005",
                      FatalException,message);
      return false;
    }
 
  std::vector<G4DataVector*>::size_type i(1);
  while (i<maxI)
    {
      G4DataVector::size_type maxJ(columns[i]->size());

      if (maxJ!=columns[0]->size())
    {
      G4String message("Data file \"");
      message+=fullFileName;
      message+="\" has lines with a different number of columns.";
          G4Exception("G4MicroElecCrossSectionDataSet::LoadData","em0005",
                      FatalException,message);
      return false;
    }

      G4DataVector::size_type j(0);

      G4DataVector *argEnergies=new G4DataVector;
      G4DataVector *argData=new G4DataVector;

      while(j<maxJ)
    {
      argEnergies->push_back(columns[0]->operator[] (j)*GetUnitEnergies());
      argData->push_back(columns[i]->operator[] (j)*GetUnitData());
      j++;
    }

      AddComponent(new G4EMDataSet(i-1, argEnergies, argData, GetAlgorithm()->Clone(), GetUnitEnergies(), GetUnitData()));
  
      i++;
    }

  i=maxI;
  while (i>0)
    {
      i--;
      delete columns[i];
    }

  return true;
}


G4bool G4MicroElecCrossSectionDataSet::SaveData(const G4String & argFileName) const
{
  const size_t n(NumberOfComponents());
 
  if (n==0)
    {
      G4Exception("G4MicroElecCrossSectionDataSet::SaveData","em0005",
                      FatalException,"Expected at least one component");

      return false;
    }
 
  G4String fullFileName(FullFileName(argFileName));
  std::ofstream out(fullFileName);

  if (!out.is_open())
    {
      G4String message("Cannot open \"");
      message+=fullFileName;
      message+="\"";
      G4Exception("G4MicroElecCrossSectionDataSet::SaveData","em0005",
                      FatalException,message);
      return false;
    }
 
  G4DataVector::const_iterator iEnergies(GetComponent(0)->GetEnergies(0).begin());
  G4DataVector::const_iterator iEnergiesEnd(GetComponent(0)->GetEnergies(0).end());
  G4DataVector::const_iterator * iData(new G4DataVector::const_iterator[n]);
 
  size_t k(n);
 
  while (k>0)
    {
      k--;
      iData[k]=GetComponent(k)->GetData(0).begin();
    }
 
  while (iEnergies!=iEnergiesEnd)
    {
      out.precision(10);
      out.width(15);
      out.setf(std::ofstream::left);
      out << ((*iEnergies)/GetUnitEnergies());
  
      k=0;
  
      while (k<n)
    {
      out << ' ';
      out.precision(10);
      out.width(15);
      out.setf(std::ofstream::left);
      out << ((*(iData[k]))/GetUnitData());

      iData[k]++;
      k++;
    }
  
      out << std::endl;
  
      iEnergies++;
    }
 
  delete[] iData;

  return true;
}


G4String G4MicroElecCrossSectionDataSet::FullFileName(const G4String& argFileName) const
{
  char* path = getenv("G4LEDATA");
  if (!path)
  {
      G4Exception("G4MicroElecCrossSectionDataSet::FullFileName","em0006",
                      FatalException,"G4LEDATA environment variable not set.");
      
      return "";
  }
  
  std::ostringstream fullFileName;
 
  fullFileName << path << "/" << argFileName << ".dat";
                      
  return G4String(fullFileName.str().c_str());
}


G4double G4MicroElecCrossSectionDataSet::FindValue(G4double argEnergy, G4int /* argComponentId */) const
{
  // Returns the sum over the shells corresponding to e
  G4double value = 0.;

  std::vector<G4VEMDataSet *>::const_iterator i(components.begin());
  std::vector<G4VEMDataSet *>::const_iterator end(components.end());

  while (i!=end)
    {
      value+=(*i)->FindValue(argEnergy);
      i++;
    }

  return value;
}


void G4MicroElecCrossSectionDataSet::PrintData(void) const
{
  const size_t n(NumberOfComponents());

  G4cout << "The data set has " << n << " components" << G4endl;
  G4cout << G4endl;
 
  size_t i(0);
 
  while (i<n)
    {
      G4cout << "--- Component " << i << " ---" << G4endl;
      GetComponent(i)->PrintData();
      i++;
    }
}


void G4MicroElecCrossSectionDataSet::SetEnergiesData(G4DataVector* argEnergies, 
                     G4DataVector* argData, 
                     G4int argComponentId)
{
  G4VEMDataSet * component(components[argComponentId]);
 
  if (component)
    {
      component->SetEnergiesData(argEnergies, argData, 0);
      return;
    }

  std::ostringstream message;
  message << "Component " << argComponentId << " not found";
 
  G4Exception("G4MicroElecCrossSectionDataSet::SetEnergiesData","em0005",
                 FatalException,message.str().c_str());
  
}


void G4MicroElecCrossSectionDataSet::SetLogEnergiesData(G4DataVector* argEnergies, 
                     G4DataVector* argData,
                                         G4DataVector* argLogEnergies,
                                         G4DataVector* argLogData, 
                     G4int argComponentId)
{
  G4VEMDataSet * component(components[argComponentId]);
 
  if (component)
    {
      component->SetLogEnergiesData(argEnergies, argData, argLogEnergies, argLogData, 0);
      return;
    }

  std::ostringstream message;
  message << "Component " << argComponentId << " not found";
 
  G4Exception("G4MicroElecCrossSectionDataSet::SetLogEnergiesData","em0005",
                 FatalException,message.str().c_str());

}


void G4MicroElecCrossSectionDataSet::CleanUpComponents()
{
  while (!components.empty())
    {
      if (components.back()) delete components.back();
      components.pop_back();
    }
}