24 unsigned N_1,
unsigned N_2,
28 setName(
"InterferenceFinite3DLattice");
44 throw std::runtime_error(
"InterferenceFunctionFinite3DLattice::lattice() -> Error. "
45 "No lattice defined.");
51 return std::vector<const INode*>() <<
mP_lattice;
57 const double qadiv2 = q.
dot(
mP_lattice->getBasisVectorA()) / 2.0;
58 const double qbdiv2 = q.
dot(
mP_lattice->getBasisVectorB()) / 2.0;
59 const double qcdiv2 = q.
dot(
mP_lattice->getBasisVectorC()) / 2.0;
Defines many exception classes in namespace Exceptionss.
Defines class InterferenceFunctionFinite3DLattice.
Defines M_PI and some more mathematical constants.
Defines namespace MathFunctions.
Defines class RealParameter.
auto dot(const BasicVector3D< U > &v) const
Returns dot product of vectors (antilinear in the first [=self] argument).
Pure virtual base class of interference functions.
void registerChild(INode *node)
void setName(const std::string &name)
Interference function of a finite 3D lattice.
InterferenceFunctionFinite3DLattice(const Lattice &lattice, unsigned N_1, unsigned N_2, unsigned N_3)
double iff_without_dw(const kvector_t q) const override final
Calculates the structure factor without Debye-Waller factor.
const Lattice & lattice() const
std::vector< const INode * > getChildren() const override final
Returns a vector of children (const).
std::unique_ptr< Lattice > mP_lattice
~InterferenceFunctionFinite3DLattice() final
InterferenceFunctionFinite3DLattice * clone() const override final
Returns a clone of this ISample object.
unsigned m_N_3
Size of the finite lattice in lattice units.
void setLattice(const Lattice &lattice)
A lattice with three basis vectors.
double Laue(const double x, size_t N)
Real Laue function: .