Gabriele Cosmo
136 lines
5.0 KiB
C++
136 lines
5.0 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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#include "G4CrystalExtension.hh"
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#include "G4AtomicFormFactor.hh"
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G4CrystalExtension::G4CrystalExtension(G4Material* mat, const G4String& name)
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: G4VMaterialExtension(name), fMaterial(mat)
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{}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
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G4complex G4CrystalExtension::ComputeStructureFactor(
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G4double kScatteringVector, G4int h, G4int k, G4int l)
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{
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// SF == Structure Factor
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// AFF == Atomic Form Factor
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// GFS == Geometrical Structure Factor
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G4complex SF = G4complex(0., 0.);
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for (auto& anElement : *(fMaterial->GetElementVector())) {
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G4double AFF = G4AtomicFormFactor::GetManager()->Get(kScatteringVector, anElement->GetZ());
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G4complex GFS = G4complex(0., 0.);
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for (const auto& anAtomPos : GetAtomBase(anElement)->GetPos()) {
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G4double aDouble = h * anAtomPos.x() + k * anAtomPos.y() + l * anAtomPos.z();
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GFS += G4complex(std::cos(CLHEP::twopi * aDouble), std::sin(CLHEP::twopi * aDouble));
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}
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SF += G4complex(AFF * GFS.real(), AFF * GFS.imag());
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}
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return SF;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
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G4complex G4CrystalExtension::ComputeStructureFactorGeometrical(G4int h, G4int k, G4int l)
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{
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// GFS == Geometrical Structure Form Factor
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G4complex GFS = G4complex(0., 0.);
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for (auto& anElement : *(fMaterial->GetElementVector())) {
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for (const auto& anAtomPos : GetAtomBase(anElement)->GetPos()) {
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G4double aDouble = h * anAtomPos.x() + k * anAtomPos.y() + l * anAtomPos.z();
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GFS += G4complex(std::cos(CLHEP::twopi * aDouble), std::sin(CLHEP::twopi * aDouble));
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}
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}
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return GFS;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
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void G4CrystalExtension::SetElReduced(const ReducedElasticity& mat)
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{
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for (size_t i = 0; i < 6; ++i) {
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for (size_t j = 0; j < 6; ++j) {
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fElReduced[i][j] = mat[i][j];
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}
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}
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
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void G4CrystalExtension::SetCpq(G4int p, G4int q, G4double value)
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{
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if (p > 0 && p < 7 && q > 0 && q < 7) {
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fElReduced[p - 1][q - 1] = value;
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}
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
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G4CrystalAtomBase* G4CrystalExtension::GetAtomBase(const G4Element* anElement)
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{
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if ((theCrystalAtomBaseMap.count(anElement) < 1)) {
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G4String astring = "Atom base for element " + anElement->GetName() + " is not registered.";
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G4Exception("G4CrystalExtension::GetAtomBase()", "cry001", JustWarning, astring);
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AddAtomBase(anElement, new G4CrystalAtomBase());
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}
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return theCrystalAtomBaseMap[anElement];
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4bool G4CrystalExtension::GetAtomPos(const G4Element* anEl, std::vector<G4ThreeVector>& vecout)
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{
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std::vector<G4ThreeVector> pos;
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for (auto& asinglepos : GetAtomBase(anEl)->GetPos()) {
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pos.clear();
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theUnitCell->FillAtomicPos(asinglepos, pos);
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vecout.insert(std::end(vecout), std::begin(pos), std::end(pos));
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}
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return true;
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}
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//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
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G4bool G4CrystalExtension::GetAtomPos(std::vector<G4ThreeVector>& vecout)
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{
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std::vector<G4ThreeVector> pos;
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vecout.clear();
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for (auto& anElement : *(fMaterial->GetElementVector())) {
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pos.clear();
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GetAtomPos(anElement, pos);
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vecout.insert(std::end(vecout), std::begin(pos), std::end(pos));
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}
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return true;
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}
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