G4CrystalExtension.cc

Go to the documentation of this file.

//
// ********************************************************************
// * 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<G4ThreeVector>& vecout)
{
  std::vector<G4ThreeVector> 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<G4ThreeVector>& vecout)
{
  std::vector<G4ThreeVector> 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;
}