Import Geant4 11.0.2 source tree
This commit is contained in:
Gabriele Cosmo
@@ -167,15 +167,6 @@ G4Material::G4Material(const G4String& name, G4double density,
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fPressure = pressure;
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fNbComponents = nComponents;
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theElementVector = new G4ElementVector();
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theElementVector->reserve(fNbComponents);
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fAtomsVector = new G4int[fNbComponents];
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fMassFractionVector = new G4double[fNbComponents];
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for(G4int i=0; i<fNbComponents; ++i) {
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fAtomsVector[i] = 0;
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fMassFractionVector[i] = 0.0;
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}
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fMassFraction = true;
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if (fState == kStateUndefined)
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@@ -301,7 +292,7 @@ void G4Material::ComputeDerivedQuantities()
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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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fTotNbOfAtomsPerVolume = 0.;
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if (fVecNbOfAtomsPerVolume) { delete [] fVecNbOfAtomsPerVolume; }
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delete [] fVecNbOfAtomsPerVolume;
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fVecNbOfAtomsPerVolume = new G4double[fNumberOfElements];
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fTotNbOfElectPerVolume = 0.;
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fFreeElecDensity = 0.;
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@@ -369,7 +360,11 @@ void
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G4Material::AddElementByNumberOfAtoms(const G4Element* elm, G4int nAtoms)
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{
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// perform checks consistency
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if(0 == fIdxComponent) { fMassFraction = false; }
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if(0 == fIdxComponent) {
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fMassFraction = false;
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fAtoms = new std::vector<G4int>;
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fElm = new std::vector<const G4Element*>;
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}
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if(fIdxComponent >= fNbComponents) {
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G4ExceptionDescription ed;
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ed << "For material " << fName << " and added element "
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@@ -381,51 +376,51 @@ G4Material::AddElementByNumberOfAtoms(const G4Element* elm, G4int nAtoms)
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}
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if(fMassFraction) {
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G4ExceptionDescription ed;
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G4cout << "For material " << fName << " and added element "
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<< elm->GetName() << " with Natoms=" << nAtoms
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<< " problem: cannot add by number of atoms after "
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<< "addition of elements by mass fraction";
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ed << "For material " << fName << " and added element "
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<< elm->GetName() << " with Natoms=" << nAtoms
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<< " problem: cannot add by number of atoms after "
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<< "addition of elements by mass fraction";
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G4Exception ("G4Material::AddElementByNumberOfAtoms()", "mat031",
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FatalException, ed, "");
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}
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G4Element* element = const_cast<G4Element*>(elm);
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// filling
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if (fIdxComponent < fNbComponents) {
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G4bool isAdded = false;
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// filling
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G4bool isAdded = false;
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if(!fElm->empty()) {
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for (G4int i=0; i<fNumberOfElements; ++i) {
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if ( element == (*theElementVector)[i] ) {
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G4ExceptionDescription ed;
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ed << "For material " << fName << " and added element "
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<< elm->GetName() << ", Natoms=" << nAtoms
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<< ", fIdxComponent=" << fIdxComponent
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<< " problem: attempt to add the same element, which already is at idx="
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<< i << " with the Natoms=" << fAtomsVector[i];
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G4Exception ("G4Material::AddElementByNumberOfAtoms()", "mat031",
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JustWarning, ed, "");
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fAtomsVector[i] += nAtoms;
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if ( elm == (*fElm)[i] ) {
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(*fAtoms)[i] += nAtoms;
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isAdded = true;
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break;
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}
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}
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if(!isAdded) {
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theElementVector->push_back(element);
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fAtomsVector[fNumberOfElements] = nAtoms;
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++fNumberOfElements;
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}
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}
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if(!isAdded) {
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fElm->push_back(elm);
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fAtoms->push_back(nAtoms);
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++fNumberOfElements;
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}
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++fIdxComponent;
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// is filled
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// is filled - complete composition of atoms
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if (fIdxComponent == fNbComponents) {
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// compute proportion by mass
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theElementVector = new G4ElementVector();
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theElementVector->reserve(fNumberOfElements);
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fAtomsVector = new G4int[fNumberOfElements];
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fMassFractionVector = new G4double[fNumberOfElements];
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G4double Amol = 0.;
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for (G4int i=0; i<fNumberOfElements; ++i) {
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G4double w = fAtomsVector[i]*(*theElementVector)[i]->GetA();
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theElementVector->push_back((*fElm)[i]);
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fAtomsVector[i] = (*fAtoms)[i];
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G4double w = fAtomsVector[i]*(*fElm)[i]->GetA();
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Amol += w;
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fMassFractionVector[i] = w;
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}
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for (G4int i=0; i<fNumberOfElements; ++i) {
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fMassFractionVector[i] /= Amol;
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}
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delete fAtoms;
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delete fElm;
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fMassOfMolecule = Amol/Avogadro;
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ComputeDerivedQuantities();
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}
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@@ -462,36 +457,31 @@ G4Material::AddElementByMassFraction(const G4Element* elm, G4double fraction)
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ed << "For material " << fName << " and added element "
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<< elm->GetName() << ", massFraction= " << fraction
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<< ", fIdxComponent=" << fIdxComponent
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<< " problem: attempt to add more than the declared number of elements "
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<< "; attempt to add more than the declared number of components "
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<< fIdxComponent << " >= " << fNbComponents;
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G4Exception ("G4Material::AddElementByMassFraction()", "mat031",
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FatalException, ed, "");
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}
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G4Element* element = const_cast<G4Element*>(elm);
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if(0 == fIdxComponent) {
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fElmFrac = new std::vector<G4double>;
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fElm = new std::vector<const G4Element*>;
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}
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// filling
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if (fIdxComponent < fNbComponents) {
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G4bool isAdded = false;
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G4bool isAdded = false;
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if(!fElm->empty()) {
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for (G4int i=0; i<fNumberOfElements; ++i) {
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if ( element == (*theElementVector)[i] ) {
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G4ExceptionDescription ed;
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ed << "For material " << fName << " and added element "
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<< elm->GetName() << ", massFraction= " << fraction
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<< ", fIdxComponent=" << fIdxComponent
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<< " problem: attempt to add the same element, which is already at idx="
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<< i << " with the fraction " << fMassFractionVector[i];
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G4Exception ("G4Material::AddElementByMassFraction()", "mat031",
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JustWarning, ed, "");
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fMassFractionVector[i] += fraction;
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if ( elm == (*fElm)[i] ) {
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(*fElmFrac)[i] += fraction;
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isAdded = true;
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break;
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}
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}
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if(!isAdded) {
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theElementVector->push_back(element);
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fMassFractionVector[fNumberOfElements] = fraction;
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++fNumberOfElements;
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}
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}
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if(!isAdded) {
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fElm->push_back(elm);
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fElmFrac->push_back(fraction);
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++fNumberOfElements;
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}
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++fIdxComponent;
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@@ -527,15 +517,40 @@ void G4Material::AddMaterial(G4Material* material, G4double fraction)
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G4ExceptionDescription ed;
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ed << "For material " << fName << " and added material "
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<< material->GetName() << ", massFraction= " << fraction
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<< " attempt to add more than the declared number of elements "
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<< "; attempt to add more than the declared number of components "
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<< fIdxComponent << " >= " << fNbComponents;
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G4Exception ("G4Material::AddMaterial()", "mat031", FatalException,
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ed, "");
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}
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// filling
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if (fIdxComponent < fNbComponents) {
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fMatComponents[material] = fraction;
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if(0 == fIdxComponent) {
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fElmFrac = new std::vector<G4double>;
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fElm = new std::vector<const G4Element*>;
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}
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// filling
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G4int nelm = material->GetNumberOfElements();
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for(G4int j=0; j<nelm; ++j) {
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auto elm = material->GetElement(j);
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auto frac = material->GetFractionVector();
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G4bool isAdded = false;
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if(!fElm->empty()) {
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for (G4int i=0; i<fNumberOfElements; ++i) {
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if ( elm == (*fElm)[i] ) {
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(*fElmFrac)[i] += fraction*frac[j];
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isAdded = true;
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break;
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}
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}
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}
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if(!isAdded) {
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fElm->push_back(elm);
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fElmFrac->push_back(fraction*frac[j]);
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++fNumberOfElements;
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}
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}
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fMatComponents[material] = fraction;
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++fIdxComponent;
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// is filled
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@@ -547,70 +562,20 @@ void G4Material::AddMaterial(G4Material* material, G4double fraction)
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void G4Material::FillVectors()
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{
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// there are material components
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if(!fMatComponents.empty()) {
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G4int nel = fNumberOfElements;
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// check list of materials
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for(auto & x : fMatComponents) {
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const G4Material* mat = x.first;
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G4int nn = mat->GetNumberOfElements();
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for(G4int j=0; j<nn; ++j) {
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G4bool yes = true;
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const G4Element* elm = mat->GetElement(j);
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for(G4int k=0; k<fNumberOfElements; ++k) {
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if(elm == (*theElementVector)[k]) {
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yes = false;
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break;
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}
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}
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if(yes) { ++nel; }
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}
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}
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// resize vectors
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if(nel > fNbComponents) {
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delete [] fAtomsVector;
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fAtomsVector = new G4int[nel];
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G4double* v = new G4double[nel];
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for(G4int i=0; i<fNumberOfElements; ++i) {
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fAtomsVector[i] = 0;
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v[i] = fMassFractionVector[i];
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}
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delete [] fMassFractionVector;
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fMassFractionVector = v;
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for(G4int i=fNumberOfElements; i<nel; ++i) {
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fAtomsVector[i] = 0;
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fMassFractionVector[i] = 0.0;
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}
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}
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// filling
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for(auto & x : fMatComponents) {
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const G4Material* mat = x.first;
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G4double frac = x.second;
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G4int nn = mat->GetNumberOfElements();
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const G4double* elmFrac = mat->GetFractionVector();
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for(G4int j=0; j<nn; ++j) {
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G4bool yes = true;
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const G4Element* elm = mat->GetElement(j);
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for(G4int k=0; k<fNumberOfElements; ++k) {
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if(elm == (*theElementVector)[k]) {
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fMassFractionVector[k] += frac*elmFrac[j];
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yes = false;
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break;
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}
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}
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if(yes) {
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theElementVector->push_back(const_cast<G4Element*>(elm));
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fMassFractionVector[fNumberOfElements] = frac*elmFrac[j];
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++fNumberOfElements;
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}
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}
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}
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}
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// check sum of weights -- OK?
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theElementVector = new G4ElementVector();
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theElementVector->reserve(fNumberOfElements);
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fAtomsVector = new G4int[fNumberOfElements];
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fMassFractionVector = new G4double[fNumberOfElements];
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G4double wtSum(0.0);
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for (G4int i=0; i<fNumberOfElements; ++i) {
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theElementVector->push_back((*fElm)[i]);
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fMassFractionVector[i] = (*fElmFrac)[i];
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wtSum += fMassFractionVector[i];
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}
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delete fElmFrac;
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delete fElm;
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// check sum of weights -- OK?
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if (std::abs(1.-wtSum) > perThousand) {
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G4ExceptionDescription ed;
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ed << "For material " << fName << " sum of fractional masses "
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