Import Geant4 9.6.0 source tree
This commit is contained in:
Gabriele Cosmo
@@ -41,20 +41,27 @@
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// 06 Sep 2011 Override the local Penelope database and use the main
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// G4AtomicDeexcitation database to retrieve the shell
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// binding energies. L. Pandola
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// 15 Mar 2012 Added method to retrieve number of atom of given Z per
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// molecule. Restore the original Penelope database for levels
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// below 100 eV. L. Pandola
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//
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// -------------------------------------------------------------------
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#include "G4PenelopeOscillatorManager.hh"
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#include "globals.hh"
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#include "G4PhysicalConstants.hh"
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#include "G4SystemOfUnits.hh"
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#include "G4AtomicTransitionManager.hh"
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#include "G4AtomicShell.hh"
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#include "G4Material.hh"
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#include "globals.hh"
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
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G4PenelopeOscillatorManager::G4PenelopeOscillatorManager() :
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oscillatorStoreIonisation(0),oscillatorStoreCompton(0),atomicNumber(0),
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atomicMass(0),excitationEnergy(0),plasmaSquared(0),atomsPerMolecule(0)
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atomicMass(0),excitationEnergy(0),plasmaSquared(0),atomsPerMolecule(0),
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atomTablePerMolecule(0)
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{
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fReadElementData = false;
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for (G4int i=0;i<5;i++)
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@@ -131,7 +138,7 @@ void G4PenelopeOscillatorManager::Clear()
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if (excitationEnergy) delete excitationEnergy;
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if (plasmaSquared) delete plasmaSquared;
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if (atomsPerMolecule) delete atomsPerMolecule;
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if (atomTablePerMolecule) delete atomTablePerMolecule;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
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@@ -249,7 +256,8 @@ void G4PenelopeOscillatorManager::CheckForTablesCreated()
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plasmaSquared = new std::map<const G4Material*,G4double>;
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if (!atomsPerMolecule)
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atomsPerMolecule = new std::map<const G4Material*,G4double>;
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if (!atomTablePerMolecule)
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atomTablePerMolecule = new std::map< std::pair<const G4Material*,G4int>, G4double>;
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}
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@@ -443,7 +451,7 @@ void G4PenelopeOscillatorManager::BuildOscillatorTable(const G4Material* materia
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{
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//G4int iZ = (G4int) (*elementVector)[i]->GetZ();
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G4double fraction = fractionVector[i];
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G4double atomicWeigth = (*elementVector)[i]->GetA()/(g/mole);
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G4double atomicWeigth = (*elementVector)[i]->GetAtomicMassAmu();
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StechiometricFactors->push_back(fraction/atomicWeigth);
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}
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//Find max
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@@ -488,7 +496,7 @@ void G4PenelopeOscillatorManager::BuildOscillatorTable(const G4Material* materia
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{
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G4int iZ = (G4int) (*elementVector)[i]->GetZ();
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totalZ += iZ * (*StechiometricFactors)[i];
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totalMolecularWeight += (*elementVector)[i]->GetA() * (*StechiometricFactors)[i];
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totalMolecularWeight += (*elementVector)[i]->GetAtomicMassAmu() * (*StechiometricFactors)[i];
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meanExcitationEnergy += iZ*std::log(meanAtomExcitationEnergy[iZ-1])*(*StechiometricFactors)[i];
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/*
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G4cout << iZ << " " << (*StechiometricFactors)[i] << " " << totalZ << " " <<
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@@ -496,6 +504,9 @@ void G4PenelopeOscillatorManager::BuildOscillatorTable(const G4Material* materia
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meanAtomExcitationEnergy[iZ-1]/eV <<
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G4endl;
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*/
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std::pair<const G4Material*,G4int> theKey = std::make_pair(material,iZ);
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if (!atomTablePerMolecule->count(theKey))
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atomTablePerMolecule->insert(std::make_pair(theKey,(*StechiometricFactors)[i]));
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}
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meanExcitationEnergy = std::exp(meanExcitationEnergy/totalZ);
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@@ -504,6 +515,7 @@ void G4PenelopeOscillatorManager::BuildOscillatorTable(const G4Material* materia
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excitationEnergy->insert(std::make_pair(material,meanExcitationEnergy));
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atomsPerMolecule->insert(std::make_pair(material,theatomsPerMolecule));
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if (verbosityLevel > 1)
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{
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G4cout << "Calculated mean excitation energy for " << material->GetName() <<
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@@ -545,20 +557,20 @@ void G4PenelopeOscillatorManager::BuildOscillatorTable(const G4Material* materia
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{
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if (std::fabs(occup) > 0)
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{
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G4PenelopeOscillator newOsc;
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newOsc.SetOscillatorStrength(std::fabs(occup)*(*StechiometricFactors)[k]);
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newOsc.SetIonisationEnergy(elementData[3][i]);
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newOsc.SetHartreeFactor(elementData[4][i]/fine_structure_const);
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newOsc.SetParentZ(elementData[0][i]);
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G4PenelopeOscillator newOscLocal;
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newOscLocal.SetOscillatorStrength(std::fabs(occup)*(*StechiometricFactors)[k]);
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newOscLocal.SetIonisationEnergy(elementData[3][i]);
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newOscLocal.SetHartreeFactor(elementData[4][i]/fine_structure_const);
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newOscLocal.SetParentZ(elementData[0][i]);
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//keep track of the origianl shell level
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newOsc.SetParentShellID((G4int)elementData[1][i]);
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newOscLocal.SetParentShellID((G4int)elementData[1][i]);
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//register only K, L and M shells. Outer shells all grouped with
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//shellIndex = 30
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if (elementData[0][i] > 6 && elementData[1][i] < 10)
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newOsc.SetShellFlag(((G4int)elementData[1][i]));
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newOscLocal.SetShellFlag(((G4int)elementData[1][i]));
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else
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newOsc.SetShellFlag(30);
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helper->push_back(newOsc);
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newOscLocal.SetShellFlag(30);
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helper->push_back(newOscLocal);
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if (occup < 0)
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{
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G4double ff = (*helper)[0].GetOscillatorStrength();
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@@ -694,13 +706,13 @@ void G4PenelopeOscillatorManager::BuildOscillatorTable(const G4Material* materia
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do
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{
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adjustmentFactor = (AALow+AAHigh)*0.5;
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G4double sum = 0;
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G4double sumLocal = 0;
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for (size_t i=0;i<helper->size();i++)
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{
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if (i == 0 && isAConductor)
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{
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G4double resEne = (*helper)[i].GetResonanceEnergy();
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sum += (*helper)[i].GetOscillatorStrength()*std::log(resEne/eV);
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sumLocal += (*helper)[i].GetOscillatorStrength()*std::log(resEne/eV);
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}
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else
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{
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@@ -709,11 +721,11 @@ void G4PenelopeOscillatorManager::BuildOscillatorTable(const G4Material* materia
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G4double WI2 = (adjustmentFactor*adjustmentFactor*ionEne*ionEne) +
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2./3.*(oscStre/totalZ)*Omega*Omega;
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G4double resEne = std::sqrt(WI2);
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(*helper)[i].SetResonanceEnergy(resEne);
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sum += (*helper)[i].GetOscillatorStrength()*std::log(resEne/eV);
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(*helper)[i].SetResonanceEnergy(resEne);
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sumLocal += (*helper)[i].GetOscillatorStrength()*std::log(resEne/eV);
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}
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}
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if (sum < TST)
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if (sumLocal < TST)
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AALow = adjustmentFactor;
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else
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AAHigh = adjustmentFactor;
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@@ -1107,9 +1119,9 @@ void G4PenelopeOscillatorManager::ReadElementData()
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bindingEnergy = shell->BindingEnergy();
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}
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//Valid level found in the G4AtomicTransition database: keep it, otherwise use
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//the ionisation energy found in the Penelope database
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elementData[3][i] = (bindingEnergy) ? bindingEnergy : ionisationEnergy*eV;
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//elementData[3][i] = ionisationEnergy*eV;
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//the ionisation energy found in the Penelope database
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elementData[3][i] = (bindingEnergy>100*eV) ? bindingEnergy : ionisationEnergy*eV;
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//elementData[3][i] = ionisationEnergy*eV;
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elementData[4][i] = hartreeProfile;
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shellCounter++;
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}
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@@ -1174,6 +1186,7 @@ G4double G4PenelopeOscillatorManager::GetPlasmaEnergySquared(const G4Material* m
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
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G4double G4PenelopeOscillatorManager::GetAtomsPerMolecule(const G4Material* mat)
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{
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// (1) First time, create oscillatorStores and read data
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@@ -1197,3 +1210,30 @@ G4double G4PenelopeOscillatorManager::GetAtomsPerMolecule(const G4Material* mat)
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return 0;
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}
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
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G4double G4PenelopeOscillatorManager::GetNumberOfZAtomsPerMolecule(const G4Material* mat,G4int Z)
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{
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// (1) First time, create oscillatorStores and read data
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CheckForTablesCreated();
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// (2) Check if the material/Z couple has been already included
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std::pair<const G4Material*,G4int> theKey = std::make_pair(mat,Z);
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if (atomTablePerMolecule->count(theKey))
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return atomTablePerMolecule->find(theKey)->second;
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// (3) If we are here, it means that we have to create the table for the material
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BuildOscillatorTable(mat);
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// (4) now, the oscillator store should be ok
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if (atomTablePerMolecule->count(theKey))
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return atomTablePerMolecule->find(theKey)->second;
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else
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{
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G4cout << "G4PenelopeOscillatorManager::GetAtomsPerMolecule() " << G4endl;
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G4cout << "Impossible to retrieve the number of atoms per molecule for Z = "
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<< Z << " in material " << mat->GetName() << G4endl;
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return 0;
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}
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}
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