Gabriele Cosmo
625 lines
22 KiB
C++
625 lines
22 KiB
C++
//
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// ********************************************************************
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// * License and Disclaimer *
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// * *
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// * The Geant4 software is copyright of the Copyright Holders of *
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// * the Geant4 Collaboration. It is provided under the terms and *
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// * conditions of the Geant4 Software License, included in the file *
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// * LICENSE and available at http://cern.ch/geant4/license . These *
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// * include a list of copyright holders. *
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// * *
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// * Neither the authors of this software system, nor their employing *
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// * institutes,nor the agencies providing financial support for this *
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// * work make any representation or warranty, express or implied, *
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// * regarding this software system or assume any liability for its *
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// * use. Please see the license in the file LICENSE and URL above *
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// * for the full disclaimer and the limitation of liability. *
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// * *
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// * This code implementation is the result of the scientific and *
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// * technical work of the GEANT4 collaboration. *
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// * By using, copying, modifying or distributing the software (or *
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// * any work based on the software) you agree to acknowledge its *
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// * use in resulting scientific publications, and indicate your *
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// * acceptance of all terms of the Geant4 Software license. *
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// ********************************************************************
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//
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//
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// $Id: G4Material.cc,v 1.42 2008/08/13 16:06:42 vnivanch Exp $
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// GEANT4 tag $Name: geant4-09-02 $
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//
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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//
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// 26-06-96, Code uses operators (+=, *=, ++, -> etc.) correctly, P. Urban
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// 10-07-96, new data members added by L.Urban
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// 12-12-96, new data members added by L.Urban
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// 20-01-97, aesthetic rearrangement. RadLength calculation modified.
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// Data members Zeff and Aeff REMOVED (i.e. passed to the Elements).
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// (local definition of Zeff in DensityEffect and FluctModel...)
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// Vacuum defined as a G4State. Mixture flag removed, M.Maire.
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// 29-01-97, State=Vacuum automatically set density=0 in the contructors.
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// Subsequent protections have been put in the calculation of
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// MeanExcEnergy, ShellCorrectionVector, DensityEffect, M.Maire.
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// 11-02-97, ComputeDensityEffect() rearranged, M.Maire.
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// 20-03-97, corrected initialization of pointers, M.Maire.
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// 28-05-98, the kState=kVacuum has been removed.
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// automatic check for a minimal density, M.Maire
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// 12-06-98, new method AddMaterial() allowing mixture of materials, M.Maire
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// 09-07-98, ionisation parameters removed from the class, M.Maire
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// 05-10-98, change names: NumDensity -> NbOfAtomsPerVolume
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// 18-11-98, new interface to SandiaTable
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// 19-01-99 enlarge tolerance on test of coherence of gas conditions
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// 19-07-99, Constructors with chemicalFormula added by V.Ivanchenko
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// 16-01-01, Nuclear interaction length, M.Maire
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// 12-03-01, G4bool fImplicitElement;
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// copy constructor and assignement operator revised (mma)
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// 03-05-01, flux.precision(prec) at begin/end of operator<<
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// 17-07-01, migration to STL. M. Verderi.
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// 14-09-01, Suppression of the data member fIndexInTable
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// 26-02-02, fIndexInTable renewed
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// 16-04-02, G4Exception put in constructor with chemical formula
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// 06-05-02, remove the check of the ideal gas state equation
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// 06-08-02, remove constructors with chemical formula (mma)
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// 22-01-04, proper STL handling of theElementVector (Hisaya)
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// 30-03-05, warning in GetMaterial(materialName)
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// 09-03-06, minor change of printout (V.Ivanchenko)
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// 10-01-07, compute fAtomVector in the case of mass fraction (V.Ivanchenko)
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// 27-07-07, improve destructor (V.Ivanchenko)
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// 18-10-07, move definition of material index to InitialisePointers (V.Ivanchenko)
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// 13-08-08, do not use fixed size arrays (V.Ivanchenko)
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//
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//
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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#include "G4Material.hh"
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#include "G4UnitsTable.hh"
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#include <iomanip>
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G4MaterialTable G4Material::theMaterialTable;
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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// Constructor to create a material from scratch
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G4Material::G4Material(const G4String& name, G4double z,
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G4double a, G4double density,
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G4State state, G4double temp, G4double pressure)
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: fName(name)
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{
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InitializePointers();
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if (density < universe_mean_density)
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{ G4cerr << "--- Warning from G4Material::G4Material()"
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<< " define a material with density=0 is not allowed. \n"
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<< " The material " << name << " will be constructed with the"
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<< " default minimal density: " << universe_mean_density/(g/cm3)
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<< "g/cm3" << G4endl;
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density = universe_mean_density;
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}
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fDensity = density;
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fState = state;
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fTemp = temp;
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fPressure = pressure;
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fChemicalFormula = " ";
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// Initialize theElementVector allocating one
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// element corresponding to this material
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maxNbComponents = fNumberOfComponents = fNumberOfElements = 1;
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fArrayLength = maxNbComponents;
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fImplicitElement = true;
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theElementVector = new G4ElementVector();
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theElementVector->push_back( new G4Element(name, " ", z, a));
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fMassFractionVector = new G4double[1];
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fMassFractionVector[0] = 1. ;
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(*theElementVector)[0] -> increaseCountUse();
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if (fState == kStateUndefined)
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{
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if (fDensity > kGasThreshold) fState = kStateSolid;
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else fState = kStateGas;
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}
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ComputeDerivedQuantities();
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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// Constructor to create a material from a List of constituents
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// (elements and/or materials) added with AddElement or AddMaterial
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G4Material::G4Material(const G4String& name, G4double density,
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G4int nComponents,
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G4State state, G4double temp, G4double pressure)
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: fName(name)
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{
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InitializePointers();
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if (density < universe_mean_density)
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{G4cerr << "--- Warning from G4Material::G4Material()"
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<< " define a material with density=0 is not allowed. \n"
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<< " The material " << name << " will be constructed with the"
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<< " default minimal density: " << universe_mean_density/(g/cm3)
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<< "g/cm3" << G4endl;
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density = universe_mean_density;
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}
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fDensity = density;
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fState = state;
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fTemp = temp;
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fPressure = pressure;
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fChemicalFormula = " ";
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maxNbComponents = nComponents;
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fArrayLength = maxNbComponents;
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fNumberOfComponents = fNumberOfElements = 0;
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fImplicitElement = false;
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theElementVector = new G4ElementVector();
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theElementVector->reserve(maxNbComponents);
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if (fState == kStateUndefined)
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{
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if (fDensity > kGasThreshold) fState = kStateSolid;
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else fState = kStateGas;
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}
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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// Fake default constructor - sets only member data and allocates memory
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// for usage restricted to object persistency
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G4Material::G4Material(__void__&)
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: fNumberOfComponents(0), fNumberOfElements(0), theElementVector(0),
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fImplicitElement(false), fMassFractionVector(0), fAtomsVector(0),
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fMaterialPropertiesTable(0), fIndexInTable(0),
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VecNbOfAtomsPerVolume(0), fIonisation(0), fSandiaTable(0)
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{
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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// AddElement -- composition by atom count
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void G4Material::AddElement(G4Element* element, G4int nAtoms)
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{
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// initialization
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if ( fNumberOfElements == 0 ) {
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fAtomsVector = new G4int [fArrayLength];
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fMassFractionVector = new G4double[fArrayLength];
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}
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// filling ...
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if ( G4int(fNumberOfElements) < maxNbComponents ) {
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theElementVector->push_back(element);
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fAtomsVector [fNumberOfElements] = nAtoms;
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fNumberOfComponents = ++fNumberOfElements;
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element->increaseCountUse();
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} else {
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G4cerr << "G4Material::AddElement ERROR for " << fName << " nElement= "
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<< fNumberOfElements << G4endl;
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G4Exception
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("ERROR!!! - Attempt to add more than the declared number of elements.");
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}
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// filled.
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if ( G4int(fNumberOfElements) == maxNbComponents ) {
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// compute proportion by mass
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size_t i=0;
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G4double Zmol(0.), Amol(0.);
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for (i=0;i<fNumberOfElements;i++) {
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Zmol += fAtomsVector[i]*(*theElementVector)[i]->GetZ();
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Amol += fAtomsVector[i]*(*theElementVector)[i]->GetA();
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}
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for (i=0;i<fNumberOfElements;i++) {
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fMassFractionVector[i] = fAtomsVector[i]
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*(*theElementVector)[i]->GetA()/Amol;
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}
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ComputeDerivedQuantities();
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}
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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// AddElement -- composition by fraction of mass
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void G4Material::AddElement(G4Element* element, G4double fraction)
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{
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// initialization
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if (fNumberOfComponents == 0) {
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fMassFractionVector = new G4double[fArrayLength];
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fAtomsVector = new G4int [fArrayLength];
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}
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// filling ...
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if (G4int(fNumberOfComponents) < maxNbComponents) {
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size_t el = 0;
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while ((el<fNumberOfElements)&&(element!=(*theElementVector)[el])) el++;
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if (el<fNumberOfElements) fMassFractionVector[el] += fraction;
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else {
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theElementVector->push_back(element);
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fMassFractionVector[el] = fraction;
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fNumberOfElements++;
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element->increaseCountUse();
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}
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fNumberOfComponents++;
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} else {
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G4cerr << "G4Material::AddElement ERROR for " << fName << " nElement= "
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<< fNumberOfElements << G4endl;
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G4Exception
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("ERROR!!! - Attempt to add more than the declared number of components.");
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}
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// filled.
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if (G4int(fNumberOfComponents) == maxNbComponents) {
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size_t i=0;
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G4double Zmol(0.), Amol(0.);
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// check sum of weights -- OK?
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G4double wtSum(0.0);
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for (i=0;i<fNumberOfElements;i++) {
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wtSum += fMassFractionVector[i];
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Zmol += fMassFractionVector[i]*(*theElementVector)[i]->GetZ();
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Amol += fMassFractionVector[i]*(*theElementVector)[i]->GetA();
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}
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if (std::abs(1.-wtSum) > perThousand) {
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G4cerr << "WARNING !! for " << fName << " sum of fractional masses "
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<< wtSum << " is not 1 - results may be wrong"
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<< G4endl;
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}
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for (i=0;i<fNumberOfElements;i++) {
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fAtomsVector[i] =
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G4int(fMassFractionVector[i]*Amol/(*theElementVector)[i]->GetA()+0.5);
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}
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ComputeDerivedQuantities();
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}
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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// AddMaterial -- composition by fraction of mass
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void G4Material::AddMaterial(G4Material* material, G4double fraction)
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{
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// initialization
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if (fNumberOfComponents == 0) {
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fMassFractionVector = new G4double[fArrayLength];
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fAtomsVector = new G4int [fArrayLength];
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}
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size_t nelm = material->GetNumberOfElements();
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// arrays should be extended
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if(nelm > 1) {
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G4int nold = fArrayLength;
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fArrayLength += nelm - 1;
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G4double* v1 = new G4double[fArrayLength];
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G4int* i1 = new G4int[fArrayLength];
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for(G4int i=0; i<nold; i++) {
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v1[i] = fMassFractionVector[i];
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i1[i] = fAtomsVector[i];
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}
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delete [] fAtomsVector;
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delete [] fMassFractionVector;
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fMassFractionVector = v1;
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fAtomsVector = i1;
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}
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// filling ...
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if (G4int(fNumberOfComponents) < maxNbComponents) {
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for (size_t elm=0; elm<nelm; elm++)
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{
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G4Element* element = (*(material->GetElementVector()))[elm];
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size_t el = 0;
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while ((el<fNumberOfElements)&&(element!=(*theElementVector)[el])) el++;
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if (el < fNumberOfElements) fMassFractionVector[el] += fraction
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*(material->GetFractionVector())[elm];
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else {
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theElementVector->push_back(element);
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fMassFractionVector[el] = fraction
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*(material->GetFractionVector())[elm];
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fNumberOfElements++;
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element->increaseCountUse();
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}
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}
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fNumberOfComponents++;
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} else {
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G4cerr << "G4Material::AddElement ERROR for " << fName << " nElement= "
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<< fNumberOfElements << G4endl;
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G4Exception
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("ERROR!!! - Attempt to add more than the declared number of components.");
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}
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// filled.
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if (G4int(fNumberOfComponents) == maxNbComponents) {
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size_t i=0;
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G4double Zmol(0.), Amol(0.);
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// check sum of weights -- OK?
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G4double wtSum(0.0);
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for (i=0;i<fNumberOfElements;i++) {
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wtSum += fMassFractionVector[i];
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Zmol += fMassFractionVector[i]*(*theElementVector)[i]->GetZ();
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Amol += fMassFractionVector[i]*(*theElementVector)[i]->GetA();
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}
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if (std::abs(1.-wtSum) > perThousand) {
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G4cerr << "WARNING !! for " << fName << " sum of fractional masses "
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<< wtSum << " is not 1 - results may be wrong"
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<< G4endl;
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}
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for (i=0;i<fNumberOfElements;i++) {
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fAtomsVector[i] =
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G4int(fMassFractionVector[i]*Amol/(*theElementVector)[i]->GetA()+0.5);
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}
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ComputeDerivedQuantities();
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}
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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void G4Material::ComputeDerivedQuantities()
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{
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// Header routine to compute various properties of material.
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//
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// Number of atoms per volume (per element), total nb of electrons per volume
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G4double Zi, Ai;
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TotNbOfAtomsPerVolume = 0.;
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if (VecNbOfAtomsPerVolume) delete [] VecNbOfAtomsPerVolume;
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VecNbOfAtomsPerVolume = new G4double[fNumberOfElements];
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TotNbOfElectPerVolume = 0.;
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for (size_t i=0;i<fNumberOfElements;i++) {
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Zi = (*theElementVector)[i]->GetZ();
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Ai = (*theElementVector)[i]->GetA();
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VecNbOfAtomsPerVolume[i] = Avogadro*fDensity*fMassFractionVector[i]/Ai;
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TotNbOfAtomsPerVolume += VecNbOfAtomsPerVolume[i];
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TotNbOfElectPerVolume += VecNbOfAtomsPerVolume[i]*Zi;
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}
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ComputeRadiationLength();
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ComputeNuclearInterLength();
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if (fIonisation) delete fIonisation;
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fIonisation = new G4IonisParamMat(this);
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if (fSandiaTable) delete fSandiaTable;
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fSandiaTable = new G4SandiaTable(this);
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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void G4Material::ComputeRadiationLength()
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{
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G4double radinv = 0.0 ;
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for (size_t i=0;i<fNumberOfElements;i++) {
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radinv += VecNbOfAtomsPerVolume[i]*((*theElementVector)[i]->GetfRadTsai());
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}
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fRadlen = (radinv <= 0.0 ? DBL_MAX : 1./radinv);
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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void G4Material::ComputeNuclearInterLength()
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{
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const G4double lambda0 = 35*g/cm2;
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G4double NILinv = 0.0;
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for (size_t i=0;i<fNumberOfElements;i++) {
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NILinv +=
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VecNbOfAtomsPerVolume[i]*std::pow(((*theElementVector)[i]->GetN()),0.6666667);
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}
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NILinv *= amu/lambda0;
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fNuclInterLen = (NILinv <= 0.0 ? DBL_MAX : 1./NILinv);
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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void G4Material::InitializePointers()
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{
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theElementVector = 0;
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fMassFractionVector = 0;
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fAtomsVector = 0;
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fMaterialPropertiesTable = 0;
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VecNbOfAtomsPerVolume = 0;
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fIonisation = 0;
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fSandiaTable = 0;
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// Store in the static Table of Materials
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theMaterialTable.push_back(this);
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fIndexInTable = theMaterialTable.size() - 1;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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const G4MaterialTable* G4Material::GetMaterialTable()
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{
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return &theMaterialTable;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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size_t G4Material::GetNumberOfMaterials()
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{
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return theMaterialTable.size();
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4Material* G4Material::GetMaterial(G4String materialName, G4bool warning)
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{
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// search the material by its name
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for (size_t J=0 ; J<theMaterialTable.size() ; J++)
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{
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if (theMaterialTable[J]->GetName() == materialName)
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return theMaterialTable[J];
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}
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// the material does not exist in the table
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if (warning) {
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G4cout << "\n---> warning from G4Material::GetMaterial(). The material: "
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<< materialName << " does not exist in the table. Return NULL pointer."
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<< G4endl;
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}
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return 0;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4Material::G4Material(const G4Material& right)
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{
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InitializePointers();
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*this = right;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4Material::~G4Material()
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{
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// G4cout << "### Destruction of material " << fName << " started" <<G4endl;
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if (theElementVector) delete theElementVector;
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if (fMassFractionVector) delete [] fMassFractionVector;
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if (fAtomsVector) delete [] fAtomsVector;
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if (VecNbOfAtomsPerVolume) delete [] VecNbOfAtomsPerVolume;
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if (fIonisation) delete fIonisation;
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if (fSandiaTable) delete fSandiaTable;
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// Remove this material from theMaterialTable.
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//
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theMaterialTable[fIndexInTable] = 0;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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const G4Material& G4Material::operator=(const G4Material& right)
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{
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if (this != &right)
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{
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fName = right.fName;
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fChemicalFormula = right.fChemicalFormula;
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fDensity = right.fDensity;
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fState = right.fState;
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fTemp = right.fTemp;
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fPressure = right.fPressure;
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if (fImplicitElement) delete ((*theElementVector)[0]);
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if (theElementVector) delete theElementVector;
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if (fMassFractionVector) delete [] fMassFractionVector;
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if (fAtomsVector) delete [] fAtomsVector;
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maxNbComponents = right.maxNbComponents;
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fNumberOfComponents = right.fNumberOfComponents;
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fNumberOfElements = right.fNumberOfElements;
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fImplicitElement = right.fImplicitElement;
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if (fImplicitElement) {
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G4double z = (*right.theElementVector)[0]->GetZ();
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G4double a = (*right.theElementVector)[0]->GetA();
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theElementVector = new G4ElementVector(1,(G4Element*)0);
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(*theElementVector)[0] = new G4Element(fName," ",z,a);
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fMassFractionVector = new G4double[1];
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fMassFractionVector[0] = 1.;
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} else {
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theElementVector = new G4ElementVector(fNumberOfElements,0);
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fMassFractionVector = new G4double[fNumberOfElements];
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for (size_t i=0; i<fNumberOfElements; i++) {
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(*theElementVector)[i]= (*right.theElementVector)[i];
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fMassFractionVector[i]= right.fMassFractionVector[i];
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}
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}
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|
if (right.fAtomsVector) {
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fAtomsVector = new G4int[fNumberOfElements];
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for (size_t i=0; i<fNumberOfElements; i++)
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fAtomsVector[i] = right.fAtomsVector[i];
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}
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fMaterialPropertiesTable = right.fMaterialPropertiesTable;
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|
|
ComputeDerivedQuantities();
|
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}
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|
return *this;
|
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4int G4Material::operator==(const G4Material& right) const
|
|
{
|
|
return (this == (G4Material *) &right);
|
|
}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4int G4Material::operator!=(const G4Material& right) const
|
|
{
|
|
return (this != (G4Material *) &right);
|
|
}
|
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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|
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|
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std::ostream& operator<<(std::ostream& flux, G4Material* material)
|
|
{
|
|
std::ios::fmtflags mode = flux.flags();
|
|
flux.setf(std::ios::fixed,std::ios::floatfield);
|
|
G4long prec = flux.precision(3);
|
|
|
|
flux
|
|
<< " Material: " << std::setw(8) << material->fName
|
|
<< " " << material->fChemicalFormula << " "
|
|
<< " density: " << std::setw(6) << std::setprecision(3)
|
|
<< G4BestUnit(material->fDensity,"Volumic Mass")
|
|
<< " RadL: " << std::setw(7) << std::setprecision(3)
|
|
<< G4BestUnit(material->fRadlen,"Length")
|
|
<< " Nucl.Int.Length: " << std::setw(7) << std::setprecision(3)
|
|
<< G4BestUnit(material->fNuclInterLen,"Length")
|
|
<< " Imean: " << std::setw(7) << std::setprecision(3)
|
|
<< G4BestUnit(material->GetIonisation()->GetMeanExcitationEnergy(),"Energy");
|
|
|
|
if(material->fState == kStateGas)
|
|
flux
|
|
<< " temperature: " << std::setw(6) << std::setprecision(2)
|
|
<< (material->fTemp)/kelvin << " K"
|
|
<< " pressure: " << std::setw(6) << std::setprecision(2)
|
|
<< (material->fPressure)/atmosphere << " atm";
|
|
|
|
for (size_t i=0; i<material->fNumberOfElements; i++)
|
|
flux
|
|
<< "\n ---> " << (*(material->theElementVector))[i]
|
|
<< " ElmMassFraction: " << std::setw(6)<< std::setprecision(2)
|
|
<< (material->fMassFractionVector[i])/perCent << " %"
|
|
<< " ElmAbundance " << std::setw(6)<< std::setprecision(2)
|
|
<< 100*(material->VecNbOfAtomsPerVolume[i])/(material->TotNbOfAtomsPerVolume)
|
|
<< " %";
|
|
|
|
flux.precision(prec);
|
|
flux.setf(mode,std::ios::floatfield);
|
|
|
|
return flux;
|
|
}
|
|
|
|
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
|
|
|
|
std::ostream& operator<<(std::ostream& flux, G4Material& material)
|
|
{
|
|
flux << &material;
|
|
return flux;
|
|
}
|
|
|
|
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
|
|
|
|
std::ostream& operator<<(std::ostream& flux, G4MaterialTable MaterialTable)
|
|
{
|
|
//Dump info for all known materials
|
|
flux << "\n***** Table : Nb of materials = " << MaterialTable.size()
|
|
<< " *****\n" << G4endl;
|
|
|
|
for (size_t i=0; i<MaterialTable.size(); i++) flux << MaterialTable[i]
|
|
<< G4endl << G4endl;
|
|
|
|
return flux;
|
|
}
|
|
|
|
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
|