// // ******************************************************************** // * License and Disclaimer * // * * // * The Geant4 software is copyright of the Copyright Holders of * // * the Geant4 Collaboration. It is provided under the terms and * // * conditions of the Geant4 Software License, included in the file * // * LICENSE and available at http://cern.ch/geant4/license . These * // * include a list of copyright holders. * // * * // * Neither the authors of this software system, nor their employing * // * institutes,nor the agencies providing financial support for this * // * work make any representation or warranty, express or implied, * // * regarding this software system or assume any liability for its * // * use. Please see the license in the file LICENSE and URL above * // * for the full disclaimer and the limitation of liability. * // * * // * This code implementation is the result of the scientific and * // * technical work of the GEANT4 collaboration. * // * By using, copying, modifying or distributing the software (or * // * any work based on the software) you agree to acknowledge its * // * use in resulting scientific publications, and indicate your * // * acceptance of all terms of the Geant4 Software license. * // ******************************************************************** // // $Id: G4Material.cc 70847 2013-06-06 11:56:34Z gcosmo $ // //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... // // 26-06-96, Code uses operators (+=, *=, ++, -> etc.) correctly, P. Urban // 10-07-96, new data members added by L.Urban // 12-12-96, new data members added by L.Urban // 20-01-97, aesthetic rearrangement. RadLength calculation modified. // Data members Zeff and Aeff REMOVED (i.e. passed to the Elements). // (local definition of Zeff in DensityEffect and FluctModel...) // Vacuum defined as a G4State. Mixture flag removed, M.Maire. // 29-01-97, State=Vacuum automatically set density=0 in the contructors. // Subsequent protections have been put in the calculation of // MeanExcEnergy, ShellCorrectionVector, DensityEffect, M.Maire. // 11-02-97, ComputeDensityEffect() rearranged, M.Maire. // 20-03-97, corrected initialization of pointers, M.Maire. // 28-05-98, the kState=kVacuum has been removed. // automatic check for a minimal density, M.Maire // 12-06-98, new method AddMaterial() allowing mixture of materials, M.Maire // 09-07-98, ionisation parameters removed from the class, M.Maire // 05-10-98, change names: NumDensity -> NbOfAtomsPerVolume // 18-11-98, new interface to SandiaTable // 19-01-99 enlarge tolerance on test of coherence of gas conditions // 19-07-99, Constructors with chemicalFormula added by V.Ivanchenko // 16-01-01, Nuclear interaction length, M.Maire // 12-03-01, G4bool fImplicitElement; // copy constructor and assignement operator revised (mma) // 03-05-01, flux.precision(prec) at begin/end of operator<< // 17-07-01, migration to STL. M. Verderi. // 14-09-01, Suppression of the data member fIndexInTable // 26-02-02, fIndexInTable renewed // 16-04-02, G4Exception put in constructor with chemical formula // 06-05-02, remove the check of the ideal gas state equation // 06-08-02, remove constructors with chemical formula (mma) // 22-01-04, proper STL handling of theElementVector (Hisaya) // 30-03-05, warning in GetMaterial(materialName) // 09-03-06, minor change of printout (V.Ivanchenko) // 10-01-07, compute fAtomVector in the case of mass fraction (V.Ivanchenko) // 27-07-07, improve destructor (V.Ivanchenko) // 18-10-07, move definition of material index to InitialisePointers (V.Ivanchenko) // 13-08-08, do not use fixed size arrays (V.Ivanchenko) // 26-10-11, new scheme for G4Exception (mma) // 13-04-12, map fMatComponents, filled in AddMaterial() // 21-04-12, fMassOfMolecule, computed for AtomsCount (mma) // // //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... #include #include "G4Material.hh" #include "G4UnitsTable.hh" #include "G4PhysicalConstants.hh" #include "G4SystemOfUnits.hh" G4MaterialTable G4Material::theMaterialTable; //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... // Constructor to create a material from scratch G4Material::G4Material(const G4String& name, G4double z, G4double a, G4double density, G4State state, G4double temp, G4double pressure) : fName(name) { InitializePointers(); if (density < universe_mean_density) { G4cout << " G4Material WARNING:" << " define a material with density=0 is not allowed. \n" << " The material " << name << " will be constructed with the" << " default minimal density: " << universe_mean_density/(g/cm3) << "g/cm3" << G4endl; density = universe_mean_density; } fDensity = density; fState = state; fTemp = temp; fPressure = pressure; // Initialize theElementVector allocating one // element corresponding to this material maxNbComponents = fNumberOfComponents = fNumberOfElements = 1; fArrayLength = maxNbComponents; fImplicitElement = true; theElementVector = new G4ElementVector(); theElementVector->push_back( new G4Element(name, " ", z, a)); fMassFractionVector = new G4double[1]; fMassFractionVector[0] = 1. ; fMassOfMolecule = a/Avogadro; if (fState == kStateUndefined) { if (fDensity > kGasThreshold) { fState = kStateSolid; } else { fState = kStateGas; } } ComputeDerivedQuantities(); } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... // Constructor to create a material from a List of constituents // (elements and/or materials) added with AddElement or AddMaterial G4Material::G4Material(const G4String& name, G4double density, G4int nComponents, G4State state, G4double temp, G4double pressure) : fName(name) { InitializePointers(); if (density < universe_mean_density) { G4cout << "--- Warning from G4Material::G4Material()" << " define a material with density=0 is not allowed. \n" << " The material " << name << " will be constructed with the" << " default minimal density: " << universe_mean_density/(g/cm3) << "g/cm3" << G4endl; density = universe_mean_density; } fDensity = density; fState = state; fTemp = temp; fPressure = pressure; maxNbComponents = nComponents; fArrayLength = maxNbComponents; fNumberOfComponents = fNumberOfElements = 0; theElementVector = new G4ElementVector(); theElementVector->reserve(maxNbComponents); if (fState == kStateUndefined) { if (fDensity > kGasThreshold) { fState = kStateSolid; } else { fState = kStateGas; } } } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... // Constructor to create a material from base material G4Material::G4Material(const G4String& name, G4double density, const G4Material* bmat, G4State state, G4double temp, G4double pressure) : fName(name) { InitializePointers(); if (density < universe_mean_density) { G4cout << "--- Warning from G4Material::G4Material()" << " define a material with density=0 is not allowed. \n" << " The material " << name << " will be constructed with the" << " default minimal density: " << universe_mean_density/(g/cm3) << "g/cm3" << G4endl; density = universe_mean_density; } fDensity = density; fState = state; fTemp = temp; fPressure = pressure; fBaseMaterial = bmat; fChemicalFormula = fBaseMaterial->GetChemicalFormula(); fMassOfMolecule = fBaseMaterial->GetMassOfMolecule(); fNumberOfElements = fBaseMaterial->GetNumberOfElements(); maxNbComponents = fNumberOfElements; fNumberOfComponents = fNumberOfElements; fMaterialPropertiesTable = fBaseMaterial->GetMaterialPropertiesTable(); CopyPointersOfBaseMaterial(); } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... // Fake default constructor - sets only member data and allocates memory // for usage restricted to object persistency G4Material::G4Material(__void__&) : fNumberOfComponents(0), fNumberOfElements(0), theElementVector(0), fImplicitElement(false), fMassFractionVector(0), fAtomsVector(0), fMaterialPropertiesTable(0), fIndexInTable(0), VecNbOfAtomsPerVolume(0) { InitializePointers(); } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... G4Material::~G4Material() { // G4cout << "### Destruction of material " << fName << " started" <GetName() == fName) { G4cout << "G4Material WARNING: doublicate name of the new material " << fName << G4endl; break; } } theMaterialTable.push_back(this); } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... void G4Material::ComputeDerivedQuantities() { // Header routine to compute various properties of material. // // Number of atoms per volume (per element), total nb of electrons per volume G4double Zi, Ai; TotNbOfAtomsPerVolume = 0.; if (VecNbOfAtomsPerVolume) { delete [] VecNbOfAtomsPerVolume; } VecNbOfAtomsPerVolume = new G4double[fNumberOfElements]; TotNbOfElectPerVolume = 0.; for (size_t i=0; iGetZ(); Ai = (*theElementVector)[i]->GetA(); VecNbOfAtomsPerVolume[i] = Avogadro*fDensity*fMassFractionVector[i]/Ai; TotNbOfAtomsPerVolume += VecNbOfAtomsPerVolume[i]; TotNbOfElectPerVolume += VecNbOfAtomsPerVolume[i]*Zi; } ComputeRadiationLength(); ComputeNuclearInterLength(); if (fIonisation) { delete fIonisation; } fIonisation = new G4IonisParamMat(this); if (fSandiaTable) { delete fSandiaTable; } fSandiaTable = new G4SandiaTable(this); } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... void G4Material::CopyPointersOfBaseMaterial() { G4double factor = fDensity/fBaseMaterial->GetDensity(); TotNbOfAtomsPerVolume = factor*fBaseMaterial->GetTotNbOfAtomsPerVolume(); TotNbOfElectPerVolume = factor*fBaseMaterial->GetTotNbOfElectPerVolume(); theElementVector = const_cast(fBaseMaterial->GetElementVector()); fMassFractionVector = const_cast(fBaseMaterial->GetFractionVector()); fAtomsVector = const_cast(fBaseMaterial->GetAtomsVector()); const G4double* v = fBaseMaterial->GetVecNbOfAtomsPerVolume(); if (VecNbOfAtomsPerVolume) { delete [] VecNbOfAtomsPerVolume; } VecNbOfAtomsPerVolume = new G4double[fNumberOfElements]; for (size_t i=0; iGetRadlen()/factor; fNuclInterLen = fBaseMaterial->GetNuclearInterLength()/factor; if (fIonisation) { delete fIonisation; } fIonisation = new G4IonisParamMat(this); fSandiaTable = fBaseMaterial->GetSandiaTable(); fIonisation->SetMeanExcitationEnergy(fBaseMaterial->GetIonisation()->GetMeanExcitationEnergy()); } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... // AddElement -- composition by atom count void G4Material::AddElement(G4Element* element, G4int nAtoms) { // initialization if ( fNumberOfElements == 0 ) { fAtomsVector = new G4int [fArrayLength]; fMassFractionVector = new G4double[fArrayLength]; } // filling ... if ( G4int(fNumberOfElements) < maxNbComponents ) { theElementVector->push_back(element); fAtomsVector[fNumberOfElements] = nAtoms; fNumberOfComponents = ++fNumberOfElements; } else { G4cout << "G4Material::AddElement ERROR for " << fName << " nElement= " << fNumberOfElements << G4endl; G4Exception ("G4Material::AddElement()", "mat031", FatalException, "Attempt to add more than the declared number of elements."); } // filled. if ( G4int(fNumberOfElements) == maxNbComponents ) { // compute proportion by mass size_t i=0; G4double Amol = 0.; for (i=0; iGetA(); Amol += w; fMassFractionVector[i] = w; } for (i=0; i 1.0) { G4cout << "G4Material::AddElement ERROR for " << fName << " and " << element->GetName() << " mass fraction= " << fraction << " is wrong " << G4endl; G4Exception ("G4Material::AddElement()", "mat032", FatalException, "Attempt to add element with wrong mass fraction"); } // initialization if (fNumberOfComponents == 0) { fMassFractionVector = new G4double[fArrayLength]; fAtomsVector = new G4int [fArrayLength]; } // filling ... if (G4int(fNumberOfComponents) < maxNbComponents) { size_t el = 0; while ((elpush_back(element); fMassFractionVector[el] = fraction; ++fNumberOfElements; // element->increaseCountUse(); } ++fNumberOfComponents; } else { G4cout << "G4Material::AddElement ERROR for " << fName << " nElement= " << fNumberOfElements << G4endl; G4Exception ("G4Material::AddElement()", "mat033", FatalException, "Attempt to add more than the declared number of elements."); } // filled. if (G4int(fNumberOfComponents) == maxNbComponents) { size_t i=0; G4double Zmol(0.), Amol(0.); // check sum of weights -- OK? G4double wtSum(0.0); for (i=0; iGetZ(); Amol += fMassFractionVector[i]*(*theElementVector)[i]->GetA(); } if (std::fabs(1.-wtSum) > perThousand) { G4cerr << "WARNING !! for " << fName << " sum of fractional masses " << wtSum << " is not 1 - results may be wrong" << G4endl; } for (i=0; iGetA()); } ComputeDerivedQuantities(); } } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... // AddMaterial -- composition by fraction of mass void G4Material::AddMaterial(G4Material* material, G4double fraction) { if(fraction < 0.0 || fraction > 1.0) { G4cout << "G4Material::AddMaterial ERROR for " << fName << " and " << material->GetName() << " mass fraction= " << fraction << " is wrong "; G4Exception ("G4Material::AddMaterial()", "mat034", FatalException, "Attempt to add material with wrong mass fraction"); } // initialization if (fNumberOfComponents == 0) { fMassFractionVector = new G4double[fArrayLength]; fAtomsVector = new G4int [fArrayLength]; } size_t nelm = material->GetNumberOfElements(); // arrays should be extended if(nelm > 1) { G4int nold = fArrayLength; fArrayLength += nelm - 1; G4double* v1 = new G4double[fArrayLength]; G4int* i1 = new G4int[fArrayLength]; for(G4int i=0; iGetElementVector()))[elm]; size_t el = 0; while ((elGetFractionVector())[elm]; else { theElementVector->push_back(element); fMassFractionVector[el] = fraction *(material->GetFractionVector())[elm]; ++fNumberOfElements; //element->increaseCountUse(); } } ++fNumberOfComponents; ///store massFraction of material component fMatComponents[material] = fraction; } else { G4cout << "G4Material::AddMaterial ERROR for " << fName << " nElement= " << fNumberOfElements << G4endl; G4Exception ("G4Material::AddMaterial()", "mat035", FatalException, "Attempt to add more than the declared number of components."); } // filled. if (G4int(fNumberOfComponents) == maxNbComponents) { size_t i=0; G4double Zmol(0.), Amol(0.); // check sum of weights -- OK? G4double wtSum(0.0); for (i=0; iGetZ(); Amol += fMassFractionVector[i]*(*theElementVector)[i]->GetA(); } if (std::fabs(1.-wtSum) > perThousand) { G4cout << "G4Material::AddMaterial WARNING !! for " << fName << " sum of fractional masses " << wtSum << " is not 1 - results may be wrong" << G4endl; } for (i=0;iGetA()); } ComputeDerivedQuantities(); } } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... void G4Material::ComputeRadiationLength() { G4double radinv = 0.0 ; for (size_t i=0;iGetfRadTsai()); } fRadlen = (radinv <= 0.0 ? DBL_MAX : 1./radinv); } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... void G4Material::ComputeNuclearInterLength() { static const G4double lambda0 = 35*g/cm2; G4double NILinv = 0.0; for (size_t i=0; iGetN(),0.6666666667); } NILinv *= amu/lambda0; fNuclInterLen = (NILinv <= 0.0 ? DBL_MAX : 1./NILinv); } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... G4MaterialTable* G4Material::GetMaterialTable() { return &theMaterialTable; } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... size_t G4Material::GetNumberOfMaterials() { return theMaterialTable.size(); } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... G4Material* G4Material::GetMaterial(const G4String& materialName, G4bool warning) { // search the material by its name for (size_t J=0 ; JGetName() == materialName) { return theMaterialTable[J]; } } // the material does not exist in the table if (warning) { G4cout << "G4Material::GetMaterial() WARNING: The material: " << materialName << " does not exist in the table. Return NULL pointer." << G4endl; } return 0; } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... G4Material::G4Material(const G4Material& right) { InitializePointers(); *this = right; } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... G4double G4Material::GetZ() const { if (fNumberOfElements > 1) { G4cout << "G4Material ERROR in GetZ. The material: " << fName << " is a mixture."; G4Exception ("G4Material::GetZ()", "mat036", FatalException, "the Atomic number is not well defined." ); } return (*theElementVector)[0]->GetZ(); } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... G4double G4Material::GetA() const { if (fNumberOfElements > 1) { G4cout << "G4Material ERROR in GetA. The material: " << fName << " is a mixture."; G4Exception ("G4Material::GetA()", "mat037", FatalException, "the Atomic mass is not well defined." ); } return (*theElementVector)[0]->GetA(); } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... const G4Material& G4Material::operator=(const G4Material& right) { if (this != &right) { fName = right.fName; fChemicalFormula = right.fChemicalFormula; fDensity = right.fDensity; fState = right.fState; fTemp = right.fTemp; fPressure = right.fPressure; if(!fBaseMaterial) { if (theElementVector) { delete theElementVector; } if (fMassFractionVector) { delete [] fMassFractionVector; } if (fAtomsVector) { delete [] fAtomsVector; } if (fIonisation) { delete fIonisation; } if (fSandiaTable) { delete fSandiaTable; } } if (VecNbOfAtomsPerVolume) { delete [] VecNbOfAtomsPerVolume; } maxNbComponents = right.maxNbComponents; fNumberOfComponents = right.fNumberOfComponents; fNumberOfElements = right.fNumberOfElements; fImplicitElement = right.fImplicitElement; fMaterialPropertiesTable = right.fMaterialPropertiesTable; fBaseMaterial = right.fBaseMaterial; fMassOfMolecule= right.fMassOfMolecule; fMatComponents= right.fMatComponents; if(fBaseMaterial) { CopyPointersOfBaseMaterial(); } else { theElementVector = new G4ElementVector(fNumberOfElements,0); fMassFractionVector = new G4double[fNumberOfElements]; fAtomsVector = new G4int[fNumberOfElements]; for (size_t i=0; ifName << " " << 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") <<"\n" << std::setw(30) << " 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"; } flux << "\n"; for (size_t i=0; ifNumberOfElements; i++) { flux << "\n ---> " << (*(material->theElementVector))[i] << "\n ElmMassFraction: " << std::setw(6)<< std::setprecision(2) << (material->fMassFractionVector[i])/perCent << " %" << " ElmAbundance " << std::setw(6)<< std::setprecision(2) << 100*(material->VecNbOfAtomsPerVolume[i])/(material->TotNbOfAtomsPerVolume) << " % \n"; } 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