G4CrystalExtension.cc

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// 21-04-16, created by E.Bagli

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#include "G4CrystalExtension.hh"
#include "G4AtomicFormFactor.hh"


G4CrystalExtension::G4CrystalExtension(G4Material* mat,const G4String& name):
G4VMaterialExtension(name),
fMaterial(mat),
theUnitCell(0){;}

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G4CrystalExtension::~G4CrystalExtension(){;}

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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;
}

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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;
}

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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];
        }
    }
}

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void G4CrystalExtension::SetCpq(G4int p, G4int q, G4double value) {
    if (p>0 && p<7 && q>0 && q<7) fElReduced[p-1][q-1] = value;
}

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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];
}

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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;
}

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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;
}

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