| Geant4 Cross Reference |
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25 //
26
27
28 #include "G4CrystalExtension.hh"
29
30 #include "G4AtomicFormFactor.hh"
31
32 G4CrystalExtension::G4CrystalExtension(G4Material* mat, const G4String& name)
33 : G4VMaterialExtension(name), fMaterial(mat)
34 {}
35
36 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
37
38 G4complex G4CrystalExtension::ComputeStructureFactor(
39 G4double kScatteringVector, G4int h, G4int k, G4int l)
40 {
41 // SF == Structure Factor
42 // AFF == Atomic Form Factor
43 // GFS == Geometrical Structure Factor
44 G4complex SF = G4complex(0., 0.);
45
46 for (auto& anElement : *(fMaterial->GetElementVector())) {
47 G4double AFF = G4AtomicFormFactor::GetManager()->Get(kScatteringVector, anElement->GetZ());
48
49 G4complex GFS = G4complex(0., 0.);
50
51 for (const auto& anAtomPos : GetAtomBase(anElement)->GetPos()) {
52 G4double aDouble = h * anAtomPos.x() + k * anAtomPos.y() + l * anAtomPos.z();
53 GFS += G4complex(std::cos(CLHEP::twopi * aDouble), std::sin(CLHEP::twopi * aDouble));
54 }
55
56 SF += G4complex(AFF * GFS.real(), AFF * GFS.imag());
57 }
58 return SF;
59 }
60
61 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
62
63 G4complex G4CrystalExtension::ComputeStructureFactorGeometrical(G4int h, G4int k, G4int l)
64 {
65 // GFS == Geometrical Structure Form Factor
66 G4complex GFS = G4complex(0., 0.);
67
68 for (auto& anElement : *(fMaterial->GetElementVector())) {
69 for (const auto& anAtomPos : GetAtomBase(anElement)->GetPos()) {
70 G4double aDouble = h * anAtomPos.x() + k * anAtomPos.y() + l * anAtomPos.z();
71 GFS += G4complex(std::cos(CLHEP::twopi * aDouble), std::sin(CLHEP::twopi * aDouble));
72 }
73 }
74 return GFS;
75 }
76
77 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
78
79 void G4CrystalExtension::SetElReduced(const ReducedElasticity& mat)
80 {
81 for (size_t i = 0; i < 6; ++i) {
82 for (size_t j = 0; j < 6; ++j) {
83 fElReduced[i][j] = mat[i][j];
84 }
85 }
86 }
87
88 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
89
90 void G4CrystalExtension::SetCpq(G4int p, G4int q, G4double value)
91 {
92 if (p > 0 && p < 7 && q > 0 && q < 7) {
93 fElReduced[p - 1][q - 1] = value;
94 }
95 }
96
97 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
98
99 G4CrystalAtomBase* G4CrystalExtension::GetAtomBase(const G4Element* anElement)
100 {
101 if ((theCrystalAtomBaseMap.count(anElement) < 1)) {
102 G4String astring = "Atom base for element " + anElement->GetName() + " is not registered.";
103 G4Exception("G4CrystalExtension::GetAtomBase()", "cry001", JustWarning, astring);
104
105 AddAtomBase(anElement, new G4CrystalAtomBase());
106 }
107 return theCrystalAtomBaseMap[anElement];
108 }
109
110 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
111
112 G4bool G4CrystalExtension::GetAtomPos(const G4Element* anEl, std::vector<G4ThreeVector>& vecout)
113 {
114 std::vector<G4ThreeVector> pos;
115 for (auto& asinglepos : GetAtomBase(anEl)->GetPos()) {
116 pos.clear();
117 theUnitCell->FillAtomicPos(asinglepos, pos);
118 vecout.insert(std::end(vecout), std::begin(pos), std::end(pos));
119 }
120 return true;
121 }
122
123 //....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......
124
125 G4bool G4CrystalExtension::GetAtomPos(std::vector<G4ThreeVector>& vecout)
126 {
127 std::vector<G4ThreeVector> pos;
128 vecout.clear();
129 for (auto& anElement : *(fMaterial->GetElementVector())) {
130 pos.clear();
131 GetAtomPos(anElement, pos);
132 vecout.insert(std::end(vecout), std::begin(pos), std::end(pos));
133 }
134 return true;
135 }
136