// // ******************************************************************** // * 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. * // ******************************************************************** // // // //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... // 21-04-16, created by E.Bagli //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... #include "G4CrystalExtension.hh" #include "G4AtomicFormFactor.hh" G4CrystalExtension::G4CrystalExtension(G4Material* mat,const G4String& name): G4VMaterialExtension(name), fMaterial(mat), theUnitCell(0){;} //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo...... G4CrystalExtension::~G4CrystalExtension(){;} //....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(auto anAtomPos: GetAtomBase(anElement)->GetPos()) { G4double aDouble = h * anAtomPos.x() + k * anAtomPos.y() + l * anAtomPos.z(); GFS += G4complex(std::cos(2 * CLHEP::pi * aDouble), std::sin(2 * CLHEP::pi * 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(auto anAtomPos: GetAtomBase(anElement)->GetPos()) { G4double aDouble = h * anAtomPos.x() + k * anAtomPos.y() + l * anAtomPos.z(); GFS += G4complex(std::cos(2 * CLHEP::pi * aDouble), std::sin(2 * CLHEP::pi * 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; } //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......