lars/geant4
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Import Geant4 11.2.0.beta source tree

Browse Source
This commit is contained in:
Gabriele Cosmo
2023-06-30 09:09:57 +02:00
parent aef78ca386
commit dd1f179cda
3780 changed files with 212808 additions and 142780 deletions
Download Patch File Download Diff File Expand all files Collapse all files
source/materials/src/G4CrystalExtension.cc
+65 -88
View File
@@ -24,84 +24,62 @@
// ********************************************************************
//
//....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(nullptr)
: G4VMaterialExtension(name), fMaterial(mat)
{}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
G4CrystalExtension::~G4CrystalExtension()
{}
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.);
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
for (auto& anElement : *(fMaterial->GetElementVector())) {
G4double AFF = G4AtomicFormFactor::GetManager()->Get(kScatteringVector, anElement->GetZ());
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.);
G4complex GFS = 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());
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 SF;
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));
}
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;
}
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) {
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];
}
}
@@ -109,50 +87,49 @@ void G4CrystalExtension::SetElReduced(const ReducedElasticity& mat) {
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo....
void G4CrystalExtension::SetCpq(G4int p, G4int q, G4double value) {
if(p > 0 && p < 7 && q > 0 && q < 7)
{
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];
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;
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;
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;
}
//....oooOO0OOooo........oooOO0OOooo........oooOO0OOooo........oooOO0OOooo......