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