G4NeutronCaptureXS.cc

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// -------------------------------------------------------------------
//
// GEANT4 Class file
//
//
// File name:    G4NeutronCaptureXS
//
// Author  Ivantchenko, Geant4, 3-Aug-09
//
// Modifications:
//
 
#include <fstream>
#include <sstream>
 
#include "G4SystemOfUnits.hh"
#include "G4NeutronCaptureXS.hh"
#include "G4Material.hh"
#include "G4Element.hh"
#include "G4PhysicsLogVector.hh"
#include "G4DynamicParticle.hh"
#include "G4ElementTable.hh"
#include "G4IsotopeList.hh"
#include "Randomize.hh"
#include "G4Log.hh" 
 
G4ElementData* G4NeutronCaptureXS::data = nullptr;
G4String G4NeutronCaptureXS::gDataDirectory = "";
 
#ifdef G4MULTITHREADED
  G4Mutex G4NeutronCaptureXS::neutronCaptureXSMutex = G4MUTEX_INITIALIZER;
#endif
 
G4NeutronCaptureXS::G4NeutronCaptureXS() 
 : G4VCrossSectionDataSet(Default_Name()),
   emax(20*CLHEP::MeV),elimit(1.0e-10*CLHEP::eV)
{
  //  verboseLevel = 0;
  if(verboseLevel > 0){
    G4cout  << "G4NeutronCaptureXS::G4NeutronCaptureXS: Initialise for Z < "
        << MAXZCAPTURE << G4endl;
  }
  logElimit = G4Log(elimit);
}
 
G4NeutronCaptureXS::~G4NeutronCaptureXS()
{
  if(isMaster) { delete data; data = nullptr; }
}
 
void G4NeutronCaptureXS::CrossSectionDescription(std::ostream& outFile) const
{
  outFile << "G4NeutronCaptureXS calculates the neutron capture cross sections\n"
          << "on nuclei using data from the high precision neutron database.\n"
          << "These data are simplified and smoothed over the resonance region\n"
          << "in order to reduce CPU time.  G4NeutronCaptureXS is set to zero\n"
          << "above 20 MeV for all targets. Cross section is zero also for Z>92.\n";
}
 
G4bool 
G4NeutronCaptureXS::IsElementApplicable(const G4DynamicParticle*, 
                    G4int, const G4Material*)
{
  return true;
}
 
G4bool 
G4NeutronCaptureXS::IsIsoApplicable(const G4DynamicParticle*,
                    G4int, G4int,
                    const G4Element*, const G4Material*)
{
  return true;
}
 
G4double 
G4NeutronCaptureXS::GetElementCrossSection(const G4DynamicParticle* aParticle,
                       G4int ZZ, const G4Material*)
{
  G4double xs = 0.0;
  G4double ekin = aParticle->GetKineticEnergy();
  if(ekin > emax) { return xs; }
 
  G4int Z = std::min(ZZ, MAXZCAPTURE-1);
  G4double logEkin = aParticle->GetLogKineticEnergy();
  if(ekin < elimit) { ekin = elimit; logEkin = logElimit; }
 
  auto pv = GetPhysicsVector(Z);
  if(pv == nullptr) { return xs; }
 
  const G4double e1 = pv->Energy(1);
  xs = (ekin >= e1) ? pv->LogVectorValue(ekin, logEkin) 
    : (*pv)[1]*std::sqrt(e1/ekin); 
 
#ifdef G4VERBOSE
  if(verboseLevel > 1){
    G4cout  << "Ekin= " << ekin/CLHEP::MeV 
            << " ElmXScap(b)= " << xs/CLHEP::barn << G4endl;
  }
#endif
  return xs;
}
 
G4double 
G4NeutronCaptureXS::GetIsoCrossSection(const G4DynamicParticle* aParticle, 
                       G4int Z, G4int A,
                       const G4Isotope*, const G4Element*,
                       const G4Material*)
{
  return IsoCrossSection(aParticle->GetKineticEnergy(), 
                         aParticle->GetLogKineticEnergy(),
                         Z, A); 
}
 
G4double G4NeutronCaptureXS::IsoCrossSection(G4double eKin, G4double logE,
                                             G4int ZZ, G4int A)
{
  G4double xs = 0.0;
  if(eKin > emax) { return xs; }
 
  G4int Z = std::min(ZZ, MAXZCAPTURE-1);
  G4double ekin = eKin;
  G4double logEkin = logE;
  if(ekin < elimit) { 
    ekin = elimit; 
    logEkin = logElimit; 
  }
 
  auto pv = GetPhysicsVector(Z);
  if(pv == nullptr) { return xs; }
 
  if(amin[Z] < amax[Z] && A >= amin[Z] && A <= amax[Z]) {
    G4PhysicsVector* pviso = data->GetComponentDataByIndex(Z, A - amin[Z]);
    if(pviso != nullptr) { 
      const G4double e1 = pviso->Energy(1);
      xs = (ekin >= e1) ? pviso->LogVectorValue(ekin, logEkin)
    : (*pviso)[1]*std::sqrt(e1/ekin); 
#ifdef G4VERBOSE
      if(verboseLevel > 0) {
    G4cout << "G4NeutronCaptureXS::IsoXS: Ekin(MeV)= " << ekin/MeV 
           << "  xs(b)= " << xs/barn 
           << "  Z= " << Z << "  A= " << A << G4endl;
      }
#endif
      return xs;
    }
  }
  // isotope data are not available or applicable
  const G4double e1 = pv->Energy(1);
  xs = (ekin >= e1) ? pv->LogVectorValue(ekin, logEkin)
    : (*pv)[1]*std::sqrt(e1/ekin); 
#ifdef G4VERBOSE
  if(verboseLevel > 0) {
    G4cout << "G4NeutronCaptureXS::IsoXS: Ekin(MeV)= " << ekin/MeV 
           << "  xs(b)= " << xs/barn 
       << "  Z= " << Z << "  A= " << A << " no iso XS" << G4endl;
  }
#endif
  return xs;
}
 
const G4Isotope* 
G4NeutronCaptureXS::SelectIsotope(const G4Element* anElement,
                  G4double kinEnergy, G4double logE)
{
  size_t nIso = anElement->GetNumberOfIsotopes();
  const G4Isotope* iso = anElement->GetIsotope(0);
 
  //G4cout << "SelectIsotope NIso= " << nIso << G4endl;
  if(1 == nIso) { return iso; }
 
  // more than 1 isotope
  G4int Z = anElement->GetZasInt();
 
  const G4double* abundVector = anElement->GetRelativeAbundanceVector();
  G4double q = G4UniformRand();
  G4double sum = 0.0;
 
  // is there isotope wise cross section?
  size_t j;
  if(amax[Z] == amin[Z] || Z >= MAXZCAPTURE) {
    for (j = 0; j<nIso; ++j) {
      sum += abundVector[j];
      if(q <= sum) {
    iso = anElement->GetIsotope(j);
    break;
      }
    }
    return iso;
  } 
  size_t nn = temp.size();
  if(nn < nIso) { temp.resize(nIso, 0.); }
 
  for (j=0; j<nIso; ++j) {
    sum += abundVector[j]*IsoCrossSection(kinEnergy, logE, Z, 
                      anElement->GetIsotope(j)->GetN());
    temp[j] = sum;
  }
  sum *= q;
  for (j = 0; j<nIso; ++j) {
    if(temp[j] >= sum) {
      iso = anElement->GetIsotope(j);
      break;
    }
  }
  return iso;
}
 
void 
G4NeutronCaptureXS::BuildPhysicsTable(const G4ParticleDefinition& p)
{
  if(verboseLevel > 0){
    G4cout << "G4NeutronCaptureXS::BuildPhysicsTable for " 
       << p.GetParticleName() << G4endl;
  }
  if(p.GetParticleName() != "neutron") { 
    G4ExceptionDescription ed;
    ed << p.GetParticleName() << " is a wrong particle type -"
       << " only neutron is allowed";
    G4Exception("G4NeutronCaptureXS::BuildPhysicsTable(..)","had012",
        FatalException, ed, "");
    return; 
  }
 
  if(nullptr == data) { 
#ifdef G4MULTITHREADED
    G4MUTEXLOCK(&neutronCaptureXSMutex);
    if(nullptr == data) { 
#endif
      isMaster = true;
      data = new G4ElementData();
      data->SetName("NeutronCapture");
      FindDirectoryPath();
#ifdef G4MULTITHREADED
    }
    G4MUTEXUNLOCK(&neutronCaptureXSMutex);
#endif
  }
 
  // it is possible re-initialisation for the second run
  const G4ElementTable* table = G4Element::GetElementTable();
  if(isMaster) {
 
    // Access to elements
    for ( auto & elm : *table ) {
      G4int Z = std::max( 1, std::min( elm->GetZasInt(), MAXZCAPTURE-1) );
      if ( nullptr == data->GetElementData(Z) ) { Initialise(Z); }
    }
  }
  // prepare isotope selection
  size_t nIso = temp.size();
  for ( auto & elm : *table ) {
    size_t n = elm->GetNumberOfIsotopes();
    if(n > nIso) { nIso = n; }
  }
  temp.resize(nIso, 0.0);
}
 
const G4String& G4NeutronCaptureXS::FindDirectoryPath()
{
  // check environment variable
  // build the complete string identifying the file with the data set
  if(gDataDirectory.empty()) {
    char* path = std::getenv("G4PARTICLEXSDATA");
    if (nullptr != path) {
      std::ostringstream ost;
      ost << path << "/neutron/cap";
      gDataDirectory = ost.str();
    } else {
      G4Exception("G4NeutronCaptureXS::Initialise(..)","had013",
          FatalException,
          "Environment variable G4PARTICLEXSDATA is not defined");
    }
  }
  return gDataDirectory;
}
 
void G4NeutronCaptureXS::InitialiseOnFly(G4int Z)
{
#ifdef G4MULTITHREADED
   G4MUTEXLOCK(&neutronCaptureXSMutex);
   if(nullptr == data->GetElementData(Z)) { 
#endif
     Initialise(Z);
#ifdef G4MULTITHREADED
   }
   G4MUTEXUNLOCK(&neutronCaptureXSMutex);
#endif
}
 
void G4NeutronCaptureXS::Initialise(G4int Z)
{
  if(nullptr != data->GetElementData(Z)) { return; }
 
  // upload element data 
  std::ostringstream ost;
  ost << FindDirectoryPath() << Z ;
  G4PhysicsVector* v = RetrieveVector(ost, true);
  data->InitialiseForElement(Z, v);
 
  // upload isotope data
  if(amin[Z] < amax[Z]) {
    G4int nmax = amax[Z] - amin[Z] + 1;
    data->InitialiseForComponent(Z, nmax);
 
    for(G4int A=amin[Z]; A<=amax[Z]; ++A) {
      std::ostringstream ost1;
      ost1 << gDataDirectory << Z << "_" << A;
      v = RetrieveVector(ost1, false);
      data->AddComponent(Z, A, v); 
    }
  }
}
 
G4PhysicsVector* 
G4NeutronCaptureXS::RetrieveVector(std::ostringstream& ost, G4bool warn)
{
  G4PhysicsLogVector* v = nullptr;
  std::ifstream filein(ost.str().c_str());
  if (!filein.is_open()) {
    if(warn) {
      G4ExceptionDescription ed;
      ed << "Data file <" << ost.str().c_str()
     << "> is not opened!";
      G4Exception("G4NeutronCaptureXS::RetrieveVector(..)","had014",
          FatalException, ed, "Check G4PARTICLEXSDATA");
    }
  } else {
    if(verboseLevel > 1) {
      G4cout << "File " << ost.str() 
         << " is opened by G4NeutronCaptureXS" << G4endl;
    }
    // retrieve data from DB
    v = new G4PhysicsLogVector();
    if(!v->Retrieve(filein, true)) {
      G4ExceptionDescription ed;
      ed << "Data file <" << ost.str().c_str()
     << "> is not retrieved!";
      G4Exception("G4NeutronCaptureXS::RetrieveVector(..)","had015",
          FatalException, ed, "Check G4PARTICLEXSDATA");
    }
  }
  return v;
}