G4SandiaTable.cc

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//
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
//
// 10.06.97 created. V. Grichine
// 18.11.98 simplified public interface; new methods for materials.  mma
// 31.01.01 redesign of ComputeMatSandiaMatrix().  mma
// 16.02.01 adapted for STL.  mma
// 22.02.01 GetsandiaCofForMaterial(energy) return 0 below lowest interval mma
// 03.04.01 fnulcof returned if energy < emin
// 10.07.01 Migration to STL. M. Verderi.
// 03.02.04 Update distructor V.Ivanchenko
// 05.03.04 New methods for old sorting algorithm for PAI model. V.Grichine
// 26.10.11 new scheme for G4Exception  (mma) 
// 22.05.13 preparation of material table without dynamical arrays. V. Grichine
// 09.07.14 modify low limit in GetSandiaCofPerAtom() and material.  mma   
// 10.07.14 modify low limit for water. VI   
//
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
 
 
#include "G4SandiaTable.hh"
#include "G4StaticSandiaData.hh"
#include "G4Material.hh"
#include "G4MaterialTable.hh"
#include "G4PhysicalConstants.hh"
#include "G4SystemOfUnits.hh"
 
const G4double G4SandiaTable::funitc[5] = 
{
  CLHEP::keV,
  CLHEP::cm2*CLHEP::keV/CLHEP::g,     
  CLHEP::cm2*CLHEP::keV*CLHEP::keV/CLHEP::g,     
  CLHEP::cm2*CLHEP::keV*CLHEP::keV*CLHEP::keV/CLHEP::g,     
  CLHEP::cm2*CLHEP::keV*CLHEP::keV*CLHEP::keV*CLHEP::keV/CLHEP::g
};
 
G4int G4SandiaTable::fCumulInterval[] = {0};
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
 
G4SandiaTable::G4SandiaTable(const G4Material* material)
  : fMaterial(material)
{
  fMatSandiaMatrix    = nullptr; 
  fMatSandiaMatrixPAI = nullptr;
  fPhotoAbsorptionCof = nullptr;
 
  fMatNbOfIntervals   = 0;
 
  fMaxInterval        = 0;
  fVerbose            = 0;  
 
  //build the CumulInterval array
  if(0 == fCumulInterval[0]) {
    fCumulInterval[0] = 1;
 
    for (G4int Z=1; Z<101; ++Z) {
      fCumulInterval[Z] = fCumulInterval[Z-1] + fNbOfIntervals[Z];
    }
  }
  
  fMaxInterval = 0;
  fSandiaCofPerAtom.resize(4,0.0);
  fLowerI1 = false;
  //compute macroscopic Sandia coefs for a material   
  ComputeMatSandiaMatrix(); // mma
}
                            
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
 
// Fake default constructor - sets only member data and allocates memory
//                            for usage restricted to object persistency
 
G4SandiaTable::G4SandiaTable(__void__&)
  : fMaterial(nullptr),fMatSandiaMatrix(nullptr),
    fMatSandiaMatrixPAI(nullptr),fPhotoAbsorptionCof(nullptr)
{
  fMaxInterval = 0;
  fMatNbOfIntervals = 0;
  fLowerI1 = false;
  fVerbose          = 0;  
  fSandiaCofPerAtom.resize(4,0.0);
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
 
G4SandiaTable::~G4SandiaTable()
{ 
  if(fMatSandiaMatrix) 
  {
    fMatSandiaMatrix->clearAndDestroy();
    delete fMatSandiaMatrix;
  }
  if(fMatSandiaMatrixPAI) 
  {
    fMatSandiaMatrixPAI->clearAndDestroy();
    delete fMatSandiaMatrixPAI;
  }
  if(fPhotoAbsorptionCof)
  {
    delete [] fPhotoAbsorptionCof;
  }
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
 
void
G4SandiaTable::GetSandiaCofPerAtom(G4int Z, G4double energy, 
                   std::vector<G4double>& coeff) const
{
#ifdef G4VERBOSE
  if(Z < 1 || Z > 100) {
    Z = PrintErrorZ(Z, "GetSandiaCofPerAtom");
  } 
  if(4 > coeff.size()) { 
    PrintErrorV("GetSandiaCofPerAtom(): input vector is resized"); 
    coeff.resize(4);
  }
#endif
  G4double Emin  = fSandiaTable[fCumulInterval[Z-1]][0]*CLHEP::keV;
  //G4double Iopot = fIonizationPotentials[Z]*eV;
  //if (Emin  < Iopot) Emin = Iopot;
 
  G4int row = 0;  
  if (energy <= Emin) { 
    energy = Emin; 
 
  } else {   
    G4int interval = fNbOfIntervals[Z] - 1;
    row = fCumulInterval[Z-1] + interval;
    // Loop checking, 07-Aug-2015, Vladimir Ivanchenko
    while ((interval>0) && (energy<fSandiaTable[row][0]*CLHEP::keV)) {
      --interval;
      row = fCumulInterval[Z-1] + interval;
    }
  }
 
  G4double AoverAvo = Z*amu/fZtoAratio[Z];
         
  coeff[0]=AoverAvo*funitc[1]*fSandiaTable[row][1];     
  coeff[1]=AoverAvo*funitc[2]*fSandiaTable[row][2];     
  coeff[2]=AoverAvo*funitc[3]*fSandiaTable[row][3];     
  coeff[3]=AoverAvo*funitc[4]*fSandiaTable[row][4];              
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
 
void 
G4SandiaTable::GetSandiaCofWater(G4double energy, 
                 std::vector<G4double>& coeff) const
{
#ifdef G4VERBOSE
  if(4 > coeff.size()) { 
    PrintErrorV("GetSandiaCofWater: input vector is resized"); 
    coeff.resize(4);
  }
#endif
  G4int i = 0;
  if(energy > fH2OlowerI1[0][0]*CLHEP::keV) {   
    i = fH2OlowerInt - 1;
    for(; i>0; --i) {
      if(energy >= fH2OlowerI1[i][0]*CLHEP::keV) { break; }
    }
  }
  coeff[0]=funitc[1]*fH2OlowerI1[i][1];     
  coeff[1]=funitc[2]*fH2OlowerI1[i][2];     
  coeff[2]=funitc[3]*fH2OlowerI1[i][3];     
  coeff[3]=funitc[4]*fH2OlowerI1[i][4];
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
 
G4double G4SandiaTable::GetWaterEnergyLimit() const
{
  return fH2OlowerI1[fH2OlowerInt - 1][0]*CLHEP::keV;
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
 
G4double G4SandiaTable::GetWaterCofForMaterial(G4int i, G4int j) const
{
  return  fH2OlowerI1[i][j]*funitc[j];
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
                                                        
G4double G4SandiaTable::GetZtoA(G4int Z)
{
#ifdef G4VERBOSE
  if(Z < 1 || Z > 100) {
    Z = PrintErrorZ(Z, "GetSandiaCofPerAtom");
  } 
#endif
  return fZtoAratio[Z];
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
 
#ifdef G4VERBOSE
 
G4int G4SandiaTable::PrintErrorZ(G4int Z, const G4String& ss)
{
  G4String sss = "G4SandiaTable::"+ss+"()";
  G4ExceptionDescription ed;
  ed << "Atomic number out of range Z= " << Z << "; closest value is used";
  G4Exception(sss,"mat060",JustWarning,ed,"");
  return (Z > 100) ? 100 : 1;
}
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
 
void G4SandiaTable::PrintErrorV(const G4String& ss)
{
  G4String sss = "G4SandiaTable::"+ss;
  G4ExceptionDescription ed;
  G4Exception(sss,"mat061",JustWarning,"Wrong input parameters");
}
#endif
 
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo.... ....oooOO0OOooo....
 
void G4SandiaTable::ComputeMatSandiaMatrix()
{  
  //get list of elements
  const G4int NbElm = fMaterial->GetNumberOfElements();
  const G4ElementVector* ElementVector = fMaterial->GetElementVector();
  
  G4int* Z = new G4int[NbElm];               //Atomic number
   
  //determine the maximum number of energy-intervals for this material
  G4int MaxIntervals = 0;
  G4int elm, z;
    
  // here we compute only for a mixture, so no waring or exception
  // if z is out of validity interval
  for (elm = 0; elm < NbElm; ++elm) 
  {
    z = G4lrint((*ElementVector)[elm]->GetZ());
    if(z < 1) { z = 1; }
    else if(z > 100) { z = 100; }
    Z[elm] = z;
    MaxIntervals += fNbOfIntervals[z];
  }  
     
  //copy the Energy bins in a tmp1 array
  //(take care of the Ionization Potential of each element)
  G4double* tmp1 = new G4double[MaxIntervals]; 
  G4double IonizationPot;
  G4int interval1 = 0;
 
  for (elm = 0; elm < NbElm; ++elm) 
  {
    z =  Z[elm];    
    IonizationPot = fIonizationPotentials[z]*CLHEP::eV;
    for(G4int row = fCumulInterval[z-1]; row<fCumulInterval[z]; ++row)
    {
      tmp1[interval1] = std::max(fSandiaTable[row][0]*CLHEP::keV,
                   IonizationPot);
      ++interval1;
    }
  }   
  //sort the energies in strickly increasing values in a tmp2 array
  //(eliminate redondances)
  
  G4double* tmp2 = new G4double[MaxIntervals];
  G4double Emin;
  G4int interval2 = 0;
  
  do 
  {
    Emin = DBL_MAX;
 
    for ( G4int i1 = 0; i1 < MaxIntervals; ++i1) 
    {
      Emin = std::min(Emin, tmp1[i1]);               //find the minimum
    }
    if (Emin < DBL_MAX) {
      tmp2[interval2] = Emin;
      ++interval2;
    }
    //copy Emin in tmp2
    for ( G4int j1 = 0; j1 < MaxIntervals; ++j1) 
    {
      if (tmp1[j1] <= Emin) { tmp1[j1] = DBL_MAX; }   //eliminate from tmp1
    }
    // Loop checking, 07-Aug-2015, Vladimir Ivanchenko
  } while (Emin < DBL_MAX);
                            
  //create the sandia matrix for this material
    
  fMatSandiaMatrix = new G4OrderedTable();
  G4int interval;
 
  for (interval = 0; interval < interval2; ++interval) 
  {
    fMatSandiaMatrix->push_back( new G4DataVector(5,0.) );
  }
  
  //ready to compute the Sandia coefs for the material
  
  const G4double* NbOfAtomsPerVolume = fMaterial->GetVecNbOfAtomsPerVolume();
  
  static const G4double prec = 1.e-03*CLHEP::eV;
  G4double coef, oldsum(0.), newsum(0.);
  fMatNbOfIntervals = 0;
         
  for ( interval = 0; interval < interval2; ++interval) 
  {
    Emin = (*(*fMatSandiaMatrix)[fMatNbOfIntervals])[0] = tmp2[interval];
 
    for ( G4int k = 1; k < 5; ++k ) {
      (*(*fMatSandiaMatrix)[fMatNbOfIntervals])[k] = 0.;      
    }
    newsum = 0.;
      
    for ( elm = 0; elm < NbElm; elm++ ) 
    {    
      GetSandiaCofPerAtom(Z[elm], Emin+prec, fSandiaCofPerAtom);
 
      for ( G4int j = 1; j < 5; ++j ) 
      {
    coef = NbOfAtomsPerVolume[elm]*fSandiaCofPerAtom[j-1];
    (*(*fMatSandiaMatrix)[fMatNbOfIntervals])[j] += coef;
    newsum += std::abs(coef);
      }                            
    }                                            
    //check for null or redondant intervals
     
    if (newsum != oldsum) { oldsum = newsum; ++fMatNbOfIntervals;}
  }
  delete [] Z;
  delete [] tmp1;
  delete [] tmp2;
 
  if ( fVerbose > 0 )
  {
    G4cout<<"G4SandiaTable::ComputeMatSandiaMatrix(), mat = "
      <<fMaterial->GetName()<<G4endl;
 
    for( G4int i = 0; i < fMatNbOfIntervals; ++i)
    {
      G4cout<<i<<"\t"<<GetSandiaCofForMaterial(i,0)/keV<<" keV \t"
        << GetSandiaCofForMaterial(i,1)
        <<"\t"<< GetSandiaCofForMaterial(i,2)
        <<"\t"<< GetSandiaCofForMaterial(i,3)
        <<"\t"<< GetSandiaCofForMaterial(i,4)<<G4endl;
    }   
  }
}
 
//
// Sandia matrix for PAI models based on vectors ...
 
void G4SandiaTable::ComputeMatSandiaMatrixPAI()
{  
  G4int MaxIntervals = 0;
  G4int elm, c, i, j, jj, k, k1, k2, c1, n1, z;    
 
  const G4int noElm = fMaterial->GetNumberOfElements();
  const G4ElementVector* ElementVector = fMaterial->GetElementVector();
  
  std::vector<G4int> Z(noElm);               //Atomic number
 
  for ( elm = 0; elm < noElm; elm++ )
  { 
    z = G4lrint((*ElementVector)[elm]->GetZ());
    if(z < 1) { z = 1; }
    else if(z > 100) { z = 100; }
    Z[elm] = z;
    MaxIntervals += fNbOfIntervals[Z[elm]];
  }  
  fMaxInterval = MaxIntervals + 2;
 
  if ( fVerbose > 0 )
  {
    G4cout<<"G4SandiaTable::ComputeMatSandiaMatrixPAI: fMaxInterval = "
      <<fMaxInterval<<G4endl;
  } 
 
  G4DataVector fPhotoAbsorptionCof0(fMaxInterval);
  G4DataVector fPhotoAbsorptionCof1(fMaxInterval);
  G4DataVector fPhotoAbsorptionCof2(fMaxInterval);
  G4DataVector fPhotoAbsorptionCof3(fMaxInterval);
  G4DataVector fPhotoAbsorptionCof4(fMaxInterval);
 
  for( c = 0; c < fMaxInterval; ++c )   // just in case
  {
    fPhotoAbsorptionCof0[c] = 0.;
    fPhotoAbsorptionCof1[c] = 0.;
    fPhotoAbsorptionCof2[c] = 0.;
    fPhotoAbsorptionCof3[c] = 0.;
    fPhotoAbsorptionCof4[c] = 0.;
  }
  c = 1;
 
  for(i = 0; i < noElm; ++i)
  {
    G4double I1 = fIonizationPotentials[Z[i]]*CLHEP::keV;  // I1 in keV
    n1          = 1;                                    
 
    for( j = 1; j < Z[i]; ++j )  n1 += fNbOfIntervals[j];
    
    G4int n2 = n1 + fNbOfIntervals[Z[i]];
    
    for( k1 = n1; k1 < n2; k1++ )
    {
      if( I1  > fSandiaTable[k1][0] )
      {
     continue;    // no ionization for energies smaller than I1 (first
      }            // ionisation potential)          
      break;
    }
    G4int flag = 0;
    
    for( c1 = 1; c1 < c; c1++ )
    {
      if( fPhotoAbsorptionCof0[c1] == I1 ) // this value already has existed
      {
    flag = 1;                      
    break;                         
      }
    }
    if(flag == 0)
    {
      fPhotoAbsorptionCof0[c] = I1;
      ++c;
    }
    for( k2 = k1; k2 < n2; k2++ )
    {
      flag = 0;
 
      for( c1 = 1; c1 < c; c1++ )
      {
        if( fPhotoAbsorptionCof0[c1] == fSandiaTable[k2][0] )
        {
      flag = 1;
      break;
        }
      }
      if(flag == 0)
      {
        fPhotoAbsorptionCof0[c] = fSandiaTable[k2][0];
    ++c;
      }
    }       
  }   // end for(i)
  // sort out
 
  for( i = 1; i < c; ++i ) 
  {
    for( j = i + 1; j < c;  ++j )
    {
      if( fPhotoAbsorptionCof0[i] > fPhotoAbsorptionCof0[j] ) 
      {
        G4double tmp = fPhotoAbsorptionCof0[i];
    fPhotoAbsorptionCof0[i] = fPhotoAbsorptionCof0[j];
    fPhotoAbsorptionCof0[j] = tmp;
      }
    }
    if ( fVerbose > 0)
    {
      G4cout<<i<<"\t energy = "<<fPhotoAbsorptionCof0[i]<<G4endl;
    }
  } 
  fMaxInterval = c;
 
  const G4double* fractionW = fMaterial->GetFractionVector();
 
  if ( fVerbose > 0)
  {
    for( i = 0; i < noElm; ++i ) 
      G4cout<<i<<" = elN, fraction = "<<fractionW[i]<<G4endl;
  }      
   
  for( i = 0; i < noElm; ++i )
  {
    n1 = 1;
    G4double I1 = fIonizationPotentials[Z[i]]*keV;
 
    for( j = 1; j < Z[i]; ++j )  n1 += fNbOfIntervals[j];
    
    G4int n2 = n1 + fNbOfIntervals[Z[i]] - 1;
 
    for(k = n1; k < n2; ++k)
    {
      G4double B1 = fSandiaTable[k][0];
      G4double B2 = fSandiaTable[k+1][0];
 
      for(G4int q = 1; q < fMaxInterval-1; q++)
      {
    G4double E1 = fPhotoAbsorptionCof0[q];
    G4double E2 = fPhotoAbsorptionCof0[q+1];
 
        if ( fVerbose > 0  )
        {
          G4cout<<"k = "<<k<<", q = "<<q<<", B1 = "<<B1<<", B2 = "<<B2
        <<", E1 = "<<E1<<", E2 = "<<E2<<G4endl;
        }      
    if( B1 > E1 || B2 < E2 || E1 < I1 )  
    {
          if ( fVerbose > 0  )
          {
            G4cout<<"continue for: B1 = "<<B1<<", B2 = "<<B2<<", E1 = "
          <<E1<<", E2 = "<<E2<<G4endl;
          }      
          continue;
    }       
    fPhotoAbsorptionCof1[q] += fSandiaTable[k][1]*fractionW[i];
    fPhotoAbsorptionCof2[q] += fSandiaTable[k][2]*fractionW[i];
    fPhotoAbsorptionCof3[q] += fSandiaTable[k][3]*fractionW[i];
    fPhotoAbsorptionCof4[q] += fSandiaTable[k][4]*fractionW[i];
      }  
    }   
    // Last interval
 
    fPhotoAbsorptionCof1[fMaxInterval-1] += fSandiaTable[k][1]*fractionW[i];
    fPhotoAbsorptionCof2[fMaxInterval-1] += fSandiaTable[k][2]*fractionW[i];
    fPhotoAbsorptionCof3[fMaxInterval-1] += fSandiaTable[k][3]*fractionW[i];
    fPhotoAbsorptionCof4[fMaxInterval-1] += fSandiaTable[k][4]*fractionW[i];
  }     // for(i)  
  c = 0;     // Deleting of first intervals where all coefficients = 0
 
  do                        
  {
    ++c;
 
    if( fPhotoAbsorptionCof1[c] != 0.0 ||
    fPhotoAbsorptionCof2[c] != 0.0 ||
        fPhotoAbsorptionCof3[c] != 0.0 || 
    fPhotoAbsorptionCof4[c] != 0.0     )  continue;
 
    if ( fVerbose > 0 )
    {
      G4cout<<c<<" = number with zero cofs"<<G4endl;
    }      
    for( jj = 2; jj < fMaxInterval; ++jj )
    {
      fPhotoAbsorptionCof0[jj-1] = fPhotoAbsorptionCof0[jj];
      fPhotoAbsorptionCof1[jj-1] = fPhotoAbsorptionCof1[jj];
      fPhotoAbsorptionCof2[jj-1] = fPhotoAbsorptionCof2[jj];
      fPhotoAbsorptionCof3[jj-1] = fPhotoAbsorptionCof3[jj];
      fPhotoAbsorptionCof4[jj-1] = fPhotoAbsorptionCof4[jj];
    }
    --fMaxInterval;
    --c; 
  }
  // Loop checking, 07-Aug-2015, Vladimir Ivanchenko
  while( c < fMaxInterval - 1 ); 
 
  if( fPhotoAbsorptionCof0[fMaxInterval-1] == 0.0 ) fMaxInterval--; 
    
  // create the sandia matrix for this material
  
  fMatSandiaMatrixPAI = new G4OrderedTable();
 
  G4double density = fMaterial->GetDensity();
 
  for (i = 0; i < fMaxInterval; ++i) // -> G4units
  {
    fPhotoAbsorptionCof0[i+1] *= funitc[0];
    fPhotoAbsorptionCof1[i+1] *= funitc[1]*density;
    fPhotoAbsorptionCof2[i+1] *= funitc[2]*density;
    fPhotoAbsorptionCof3[i+1] *= funitc[3]*density;
    fPhotoAbsorptionCof4[i+1] *= funitc[4]*density;
  }
  if(fLowerI1)
  {
    if( fMaterial->GetName() == "G4_WATER")
    {
      fMaxInterval += fH2OlowerInt;
 
      for (i = 0; i < fMaxInterval; ++i) // init vector table
      {
        fMatSandiaMatrixPAI->push_back( new G4DataVector(5,0.) );
      }                 
      for (i = 0; i < fH2OlowerInt; ++i)
      {
        (*(*fMatSandiaMatrixPAI)[i])[0] = fH2OlowerI1[i][0];
        (*(*fMatSandiaMatrixPAI)[i])[1] = fH2OlowerI1[i][1];
        (*(*fMatSandiaMatrixPAI)[i])[2] = fH2OlowerI1[i][2];
        (*(*fMatSandiaMatrixPAI)[i])[3] = fH2OlowerI1[i][3];
        (*(*fMatSandiaMatrixPAI)[i])[4] = fH2OlowerI1[i][4];
      }
      for (i = fH2OlowerInt; i < fMaxInterval; ++i)
      {
        (*(*fMatSandiaMatrixPAI)[i])[0] = fPhotoAbsorptionCof0[i+1-fH2OlowerInt];
        (*(*fMatSandiaMatrixPAI)[i])[1] = fPhotoAbsorptionCof1[i+1-fH2OlowerInt];
        (*(*fMatSandiaMatrixPAI)[i])[2] = fPhotoAbsorptionCof2[i+1-fH2OlowerInt];
        (*(*fMatSandiaMatrixPAI)[i])[3] = fPhotoAbsorptionCof3[i+1-fH2OlowerInt];
        (*(*fMatSandiaMatrixPAI)[i])[4] = fPhotoAbsorptionCof4[i+1-fH2OlowerInt];
      }
    }
  }
  else
  { 
    for (i = 0; i < fMaxInterval; ++i) // init vector table
    {
      fMatSandiaMatrixPAI->push_back( new G4DataVector(5,0.) );
    }               
    for (i = 0; i < fMaxInterval; ++i)
    {
      (*(*fMatSandiaMatrixPAI)[i])[0] = fPhotoAbsorptionCof0[i+1];
      (*(*fMatSandiaMatrixPAI)[i])[1] = fPhotoAbsorptionCof1[i+1]; // *density;
      (*(*fMatSandiaMatrixPAI)[i])[2] = fPhotoAbsorptionCof2[i+1]; // *density;
      (*(*fMatSandiaMatrixPAI)[i])[3] = fPhotoAbsorptionCof3[i+1]; // *density;
      (*(*fMatSandiaMatrixPAI)[i])[4] = fPhotoAbsorptionCof4[i+1]; // *density;
    }
  }
  // --fMaxInterval; 
  // to avoid duplicate at 500 keV or extra zeros in last interval
 
  if ( fVerbose > 0  )
  {
    G4cout<<"G4SandiaTable::ComputeMatSandiaMatrixPAI(), mat = "
      <<fMaterial->GetName()<<G4endl;
 
    for( i = 0; i < fMaxInterval; ++i)
    {
      G4cout<<i<<"\t"<<GetSandiaMatTablePAI(i,0)/keV<<" keV \t"
        << GetSandiaMatTablePAI(i,1)
        <<"\t"<<GetSandiaMatTablePAI(i,2)
        <<"\t"<<GetSandiaMatTablePAI(i,3)
        <<"\t"<<GetSandiaMatTablePAI(i,4)<<G4endl;
    }   
  }
  return;
}
 
// Methods for PAI model only
//
 
G4SandiaTable::G4SandiaTable(G4int matIndex)
{ 
  fMaterial           = nullptr;
  fMatNbOfIntervals   = 0;
  fMatSandiaMatrix    = 0; 
  fMatSandiaMatrixPAI = 0;
  fPhotoAbsorptionCof = 0;
 
  fMaxInterval        = 0;
  fVerbose            = 0;  
  fLowerI1 = false;
 
  fSandiaCofPerAtom.resize(4,0.0);
 
  const G4MaterialTable* theMaterialTable = G4Material::GetMaterialTable();
  G4int numberOfMat = G4Material::GetNumberOfMaterials();
 
  if ( matIndex >= 0 && matIndex < numberOfMat)
    {
      fMaterial = (*theMaterialTable)[matIndex];
    }
  else
    {
      G4Exception("G4SandiaTable::G4SandiaTable(G4int matIndex)", "mat401",
          FatalException, "wrong matIndex");
    }
}
 
 
G4SandiaTable::G4SandiaTable()
{ 
  fMaterial           = nullptr;
  fMatNbOfIntervals   = 0;
  fMatSandiaMatrix    = 0; 
  fMatSandiaMatrixPAI = 0;
  fPhotoAbsorptionCof = 0;
 
  fMaxInterval        = 0;
  fVerbose            = 0;  
  fLowerI1 = false;
 
  fSandiaCofPerAtom.resize(4,0.0);
}
 
  
void G4SandiaTable::Initialize(const G4Material* mat)
{
  fMaterial = mat;
  ComputeMatSandiaMatrixPAI();
}
 
 
G4int G4SandiaTable::GetMaxInterval() const 
{ 
  return fMaxInterval;
}
 
 
G4double** G4SandiaTable::GetPointerToCof() 
{ 
  if(!fPhotoAbsorptionCof) { ComputeMatTable(); }
  return fPhotoAbsorptionCof;
}
 
 
void G4SandiaTable::SandiaSwap( G4double** da ,
                G4int i,
                G4int j )
{
  G4double tmp = da[i][0] ;
  da[i][0] = da[j][0] ;
  da[j][0] = tmp ;
}
 
 
G4double G4SandiaTable::GetPhotoAbsorpCof(G4int i, G4int j) const
{
  return  fPhotoAbsorptionCof[i][j]*funitc[j];
}
 
//
// Bubble sorting of left energy interval in SandiaTable in ascening order
//
 
void
G4SandiaTable::SandiaSort(G4double** da, G4int sz)
{
  for(G4int i = 1;i < sz; ++i ) 
   {
     for(G4int j = i + 1;j < sz; ++j )
     {
       if(da[i][0] > da[j][0])   SandiaSwap(da,i,j);      
     }
   }
}
 
//
//  SandiaIntervals 
//
 
G4int G4SandiaTable::SandiaIntervals(G4int Z[], G4int el )
{
  G4int c,  i, flag = 0, n1 = 1;
  G4int j, c1, k1, k2;
  G4double I1;
  fMaxInterval = 0;
 
  for( i = 0; i < el; ++i )  fMaxInterval += fNbOfIntervals[ Z[i] ]; 
 
  fMaxInterval += 2;
 
  if( fVerbose > 0 ) {
    G4cout<<"begin sanInt, fMaxInterval = "<<fMaxInterval<<G4endl;
  }
 
  fPhotoAbsorptionCof = new G4double* [fMaxInterval];
 
  for( i = 0; i < fMaxInterval; ++i ) {
    fPhotoAbsorptionCof[i] = new G4double[5];
  }
  //  for(c = 0; c < fIntervalLimit; ++c)   // just in case
 
  for( c = 0; c < fMaxInterval; ++c ) { fPhotoAbsorptionCof[c][0] = 0.; }
  
  c = 1;
 
  for( i = 0; i < el; ++i )
  {
    I1 = fIonizationPotentials[ Z[i] ]*keV;  // First ionization
    n1 = 1;                                  // potential in keV
 
    for( j = 1; j < Z[i]; ++j )  n1 += fNbOfIntervals[j];
    
    G4int n2 = n1 + fNbOfIntervals[Z[i]];
    
    for( k1 = n1; k1 < n2; k1++ )
    {
      if( I1  > fSandiaTable[k1][0] )
      {
     continue;    // no ionization for energies smaller than I1 (first
      }            // ionisation potential)          
      break;
    }
    flag = 0;
    
    for( c1 = 1; c1 < c; c1++ )
    {
      if( fPhotoAbsorptionCof[c1][0] == I1 ) // this value already has existed
      {
    flag = 1;                      
    break;                         
      }
    }
    if( flag == 0 )
    {
      fPhotoAbsorptionCof[c][0] = I1;
      ++c;
    }
    for( k2 = k1; k2 < n2; k2++ )
    {
      flag = 0;
 
      for( c1 = 1; c1 < c; c1++ )
      {
        if( fPhotoAbsorptionCof[c1][0] == fSandiaTable[k2][0] )
        {
      flag = 1;
      break;
        }
      }
      if( flag == 0 )
      {
        fPhotoAbsorptionCof[c][0] = fSandiaTable[k2][0];
    if( fVerbose > 0 ) {
      G4cout<<"sanInt, c = "<<c<<", E_c = "<<fPhotoAbsorptionCof[c][0]
        <<G4endl;
    }
    ++c;
      }
    }       
  }   // end for(i)
  
  SandiaSort(fPhotoAbsorptionCof,c);
  fMaxInterval = c;
  if( fVerbose > 0 ) {
    G4cout<<"end SanInt, fMaxInterval = "<<fMaxInterval<<G4endl;
  }
  return c;
}   
 
//
//  SandiaMixing
//
 
G4int
G4SandiaTable::SandiaMixing(         G4int Z[],
                   const G4double fractionW[],
                         G4int el,
                         G4int mi     )
{
  G4int i, j, n1, k, c=1, jj, kk;
  G4double I1, B1, B2, E1, E2;
   
  for( i = 0; i < mi; ++i )
  {
    for( j = 1; j < 5; ++j ) fPhotoAbsorptionCof[i][j] = 0.;
  }
  for( i = 0; i < el; ++i )
  {
    n1 = 1;
    I1 = fIonizationPotentials[Z[i]]*keV;
 
    for( j = 1; j < Z[i]; ++j )   n1 += fNbOfIntervals[j];
      
    G4int n2 = n1 + fNbOfIntervals[Z[i]] - 1;
 
    for( k = n1; k < n2; ++k )
    {
      B1 = fSandiaTable[k][0];
      B2 = fSandiaTable[k+1][0];
 
      for( c = 1; c < mi-1; ++c )
      {
        E1 = fPhotoAbsorptionCof[c][0];
        E2 = fPhotoAbsorptionCof[c+1][0];
 
        if( B1 > E1 || B2 < E2 || E1 < I1 )   continue;
        
    for( j = 1; j < 5; ++j ) 
    {
          fPhotoAbsorptionCof[c][j] += fSandiaTable[k][j]*fractionW[i];
          if( fVerbose > 0 )
      {
        G4cout<<"c="<<c<<"; j="<<j<<"; fST="<<fSandiaTable[k][j]
          <<"; frW="<<fractionW[i]<<G4endl;
      }
    }       
      }  
    }   
    for( j = 1; j < 5; ++j )   // Last interval
    {
      fPhotoAbsorptionCof[mi-1][j] += fSandiaTable[k][j]*fractionW[i];
      if( fVerbose > 0 )
      {
    G4cout<<"mi-1="<<mi-1<<"; j="<<j<<"; fST="<<fSandiaTable[k][j]
          <<"; frW="<<fractionW[i]<<G4endl;
      }
    }
  }     // for(i)
  c = 0;     // Deleting of first intervals where all coefficients = 0
 
  do                        
  {
    ++c;
 
    if( fPhotoAbsorptionCof[c][1] != 0.0 ||
    fPhotoAbsorptionCof[c][2] != 0.0 ||
        fPhotoAbsorptionCof[c][3] != 0.0 || 
    fPhotoAbsorptionCof[c][4] != 0.0     )  continue;
       
    for( jj = 2; jj < mi; ++jj )
    {
      for( kk = 0; kk < 5; ++kk ) {
    fPhotoAbsorptionCof[jj-1][kk] = fPhotoAbsorptionCof[jj][kk];
      }
    }
    mi--;
    c--;
  }
  // Loop checking, 07-Aug-2015, Vladimir Ivanchenko
  while( c < mi - 1 );
 
  if( fVerbose > 0 ) G4cout<<"end SanMix, mi = "<<mi<<G4endl;
    
  return mi;
}  
 
 
G4int G4SandiaTable::GetMatNbOfIntervals() const
{
  return fMatNbOfIntervals;
}
 
 
G4double
G4SandiaTable::GetSandiaPerAtom(G4int Z, G4int interval, G4int j) const
{
#ifdef G4VERBOSE
  if(Z < 1 || Z > 100) {
    Z = PrintErrorZ(Z, "GetSandiaPerAtom");
  } 
  if(interval<0 || interval>=fNbOfIntervals[Z]) {
    PrintErrorV("GetSandiaPerAtom");
    interval = (interval<0) ? 0 : fNbOfIntervals[Z]-1;
  }
  if(j<0 || j>4) {
    PrintErrorV("GetSandiaPerAtom");
    j = (j<0) ? 0 : 4;
  }
#endif
  G4int row = fCumulInterval[Z-1] + interval;
  G4double x = fSandiaTable[row][0]*CLHEP::keV;
  if (j > 0) {
    x = Z*CLHEP::amu/fZtoAratio[Z]*fSandiaTable[row][j]*funitc[j];     
  }
  return x;
}
 
 
G4double  
G4SandiaTable::GetSandiaCofForMaterial(G4int interval, G4int j) const 
{
#ifdef G4VERBOSE
  if(interval<0 || interval>=fMatNbOfIntervals) {
    PrintErrorV("GetSandiaCofForMaterial");
    interval = (interval<0) ? 0 : fMatNbOfIntervals-1;
  }
  if(j<0 || j>4) {
    PrintErrorV("GetSandiaCofForMaterial");
    j = (j<0) ? 0 : 4;
  }
#endif
  return ((*(*fMatSandiaMatrix)[interval])[j]); 
}
 
 
const G4double* 
G4SandiaTable::GetSandiaCofForMaterial(G4double energy) const
{
  G4int interval = 0;
  if (energy > (*(*fMatSandiaMatrix)[0])[0]) { 
    interval = fMatNbOfIntervals - 1;
    // Loop checking, 07-Aug-2015, Vladimir Ivanchenko
    while ((interval>0)&&(energy<(*(*fMatSandiaMatrix)[interval])[0])) 
      { --interval; }
  } 
  return &((*(*fMatSandiaMatrix)[interval])[1]);
}
 
 
G4double  
G4SandiaTable::GetSandiaMatTable(G4int interval, G4int j) const
{
#ifdef G4VERBOSE
  if(interval<0 || interval>=fMatNbOfIntervals) {
    PrintErrorV("GetSandiaCofForMaterial");
    interval = (interval<0) ? 0 : fMatNbOfIntervals-1;
  }
  if(j<0 || j>4) {
    PrintErrorV("GetSandiaCofForMaterial");
    j = (j<0) ? 0 : 4;
  }
#endif
  return ((*(*fMatSandiaMatrix)[interval])[j])*funitc[j]; 
}
 
 
G4double  
G4SandiaTable::GetSandiaMatTablePAI(G4int interval, G4int j) const
{
#ifdef G4VERBOSE
  if(interval<0 || interval>=fMaxInterval) {
    PrintErrorV("GetSandiaCofForMaterialPAI");
    interval = (interval<0) ? 0 : fMaxInterval-1;
  }
  if(j<0 || j>4) {
    PrintErrorV("GetSandiaCofForMaterialPAI");
    j = (j<0) ? 0 : 4;
  }
#endif
  return ((*(*fMatSandiaMatrixPAI)[interval])[j]); 
}
 
//
//  Sandia interval and mixing calculations for materialCutsCouple constructor 
//
 
void G4SandiaTable::ComputeMatTable()
{
  G4int elm, c, i, j, jj, k, kk, k1, k2, c1, n1;    
 
  const G4int noElm = fMaterial->GetNumberOfElements();
  const G4ElementVector* ElementVector = fMaterial->GetElementVector();  
  G4int* Z = new G4int[noElm];               //Atomic number
 
  fMaxInterval = 0;
  for (elm = 0; elm<noElm; ++elm)
  { 
    Z[elm] = (*ElementVector)[elm]->GetZasInt();
    fMaxInterval += fNbOfIntervals[Z[elm]];
  }
  fMaxInterval += 2;
 
  //  G4cout<<"fMaxInterval = "<<fMaxInterval<<G4endl;
 
  fPhotoAbsorptionCof = new G4double* [fMaxInterval];
 
  for(i = 0; i < fMaxInterval; ++i)  
  {
     fPhotoAbsorptionCof[i] = new G4double[5];
  }
 
  //  for(c = 0; c < fIntervalLimit; ++c)   // just in case
 
  for(c = 0; c < fMaxInterval; ++c)   // just in case
  {
     fPhotoAbsorptionCof[c][0] = 0.;
  }
  c = 1;
 
  for(i = 0; i < noElm; ++i)
  {
    G4double I1 = fIonizationPotentials[Z[i]]*keV;  // First ionization
    n1 = 1;                                     // potential in keV
 
    for(j = 1; j < Z[i]; ++j)
    {
      n1 += fNbOfIntervals[j];
    }
    G4int n2 = n1 + fNbOfIntervals[Z[i]];
    
    for(k1 = n1; k1 < n2; ++k1)
    {
      if(I1  > fSandiaTable[k1][0])
      {
     continue;    // no ionization for energies smaller than I1 (first
      }            // ionisation potential)          
      break;
    }
    G4int flag = 0;
    
    for(c1 = 1; c1 < c; ++c1)
    {
      if(fPhotoAbsorptionCof[c1][0] == I1) // this value already has existed
      {
    flag = 1;                      
    break;                         
      }
    }
    if(flag == 0)
    {
      fPhotoAbsorptionCof[c][0] = I1;
      ++c;
    }
    for(k2 = k1; k2 < n2; ++k2)
    {
      flag = 0;
 
      for(c1 = 1; c1 < c; ++c1)
      {
        if(fPhotoAbsorptionCof[c1][0] == fSandiaTable[k2][0])
        {
      flag = 1;
      break;
        }
      }
      if(flag == 0)
      {
        fPhotoAbsorptionCof[c][0] = fSandiaTable[k2][0];
    ++c;
      }
    }       
  }   // end for(i)
  
  SandiaSort(fPhotoAbsorptionCof,c);
  fMaxInterval = c;
 
  const G4double* fractionW = fMaterial->GetFractionVector();
   
  for(i = 0; i < fMaxInterval; ++i)
  {
      for(j = 1; j < 5; ++j) fPhotoAbsorptionCof[i][j] = 0.;
  }
  for(i = 0; i < noElm; ++i)
  {
      n1 = 1;
      G4double I1 = fIonizationPotentials[Z[i]]*keV;
 
      for(j = 1; j < Z[i]; ++j)
      {
         n1 += fNbOfIntervals[j];
      }
      G4int n2 = n1 + fNbOfIntervals[Z[i]] - 1;
 
      for(k = n1; k < n2; ++k)
      {
         G4double B1 = fSandiaTable[k][0];
         G4double B2 = fSandiaTable[k+1][0];
         for(G4int q = 1; q < fMaxInterval-1; q++)
         {
            G4double E1 = fPhotoAbsorptionCof[q][0];
            G4double E2 = fPhotoAbsorptionCof[q+1][0];
            if(B1 > E1 || B2 < E2 || E1 < I1)
        {
           continue;
        }
        for(j = 1; j < 5; ++j)
        {
               fPhotoAbsorptionCof[q][j] += fSandiaTable[k][j]*fractionW[i];
        }
      }  
       }   
       for(j = 1; j < 5; ++j)   // Last interval
       {
     fPhotoAbsorptionCof[fMaxInterval-1][j] += 
       fSandiaTable[k][j]*fractionW[i];
       }
  }     // for(i)
 
  c = 0; // Deleting of first intervals where all coefficients = 0
 
  do                        
  {
    ++c;
 
    if( fPhotoAbsorptionCof[c][1] != 0.0 ||
    fPhotoAbsorptionCof[c][2] != 0.0 ||
    fPhotoAbsorptionCof[c][3] != 0.0 || 
    fPhotoAbsorptionCof[c][4] != 0.0     )  continue;
       
    for(jj = 2; jj < fMaxInterval; ++jj)
    {
      for(kk = 0; kk < 5; ++kk)
      {
         fPhotoAbsorptionCof[jj-1][kk]= fPhotoAbsorptionCof[jj][kk];
      }
    }
    --fMaxInterval;
    --c;
  }
  // Loop checking, 07-Aug-2015, Vladimir Ivanchenko
  while( c < fMaxInterval - 1 );
    
  // create the sandia matrix for this material
 
  --fMaxInterval;  // vmg 20.11.10
    
  fMatSandiaMatrix = new G4OrderedTable();
 
  for (i = 0; i < fMaxInterval; ++i)
  {
     fMatSandiaMatrix->push_back(new G4DataVector(5,0.));
  }             
  for ( i = 0; i < fMaxInterval; ++i )
  {
    for( j = 0; j < 5; ++j )
    {
      (*(*fMatSandiaMatrix)[i])[j] = fPhotoAbsorptionCof[i+1][j];
    }     
  }
  fMatNbOfIntervals = fMaxInterval; 
                    
  if ( fVerbose > 0 )
  {
    G4cout<<"vmg, G4SandiaTable::ComputeMatTable(), mat = "
      <<fMaterial->GetName()<<G4endl;
 
    for ( i = 0; i < fMaxInterval; ++i )
    {
      // G4cout<<i<<"\t"<<(*(*fMatSandiaMatrix)[i])[0]<<" keV \t"
      // <<(*(*fMatSandiaMatrix)[i])[1]
      //       <<"\t"<<(*(*fMatSandiaMatrix)[i])[2]<<"\t"
      // <<(*(*fMatSandiaMatrix)[i])[3]
      //   <<"\t"<<(*(*fMatSandiaMatrix)[i])[4]<<G4endl;
 
      G4cout<<i<<"\t"<<GetSandiaCofForMaterial(i,0)/keV
        <<" keV \t"<<this->GetSandiaCofForMaterial(i,1)
        <<"\t"<<this->GetSandiaCofForMaterial(i,2)
        <<"\t"<<this->GetSandiaCofForMaterial(i,3)
        <<"\t"<<this->GetSandiaCofForMaterial(i,4)<<G4endl;
    }
  }                 
  delete [] Z;
  return;
}  
 
//
//