1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
|
// ************************************************************************************************
//
// BornAgain: simulate and fit reflection and scattering
//
//! @file Sample/Aggregate/Interference2DLattice.h
//! @brief Defines class Interference2DLattice.
//!
//! @homepage http://www.bornagainproject.org
//! @license GNU General Public License v3 or higher (see COPYING)
//! @copyright Forschungszentrum Jülich GmbH 2018
//! @authors Scientific Computing Group at MLZ (see CITATION, AUTHORS)
//
// ************************************************************************************************
#ifndef BORNAGAIN_SAMPLE_AGGREGATE_INTERFERENCE2DLATTICE_H
#define BORNAGAIN_SAMPLE_AGGREGATE_INTERFERENCE2DLATTICE_H
#include "Sample/Aggregate/IInterference.h"
#include "Sample/Lattice/Lattice2D.h"
class IProfile2D;
//! Interference function of a 2D lattice.
class Interference2DLattice : public IInterference {
public:
Interference2DLattice(const Lattice2D& lattice);
~Interference2DLattice() override;
#ifndef SWIG
Interference2DLattice* clone() const override;
std::vector<const INode*> nodeChildren() const override;
#endif // SWIG
std::string className() const final { return "Interference2DLattice"; }
void setDecayFunction(const IProfile2D& decay);
void setIntegrationOverXi(bool integrate_xi);
bool integrationOverXi() const { return m_integrate_xi; }
const Lattice2D& lattice() const;
//! Returns the particle density associated with this 2d lattice
double particleDensity() const override;
private:
double iff_without_dw(const R3& q) const override;
double interferenceForXi(double xi, double qx, double qy) const;
//! Returns interference from a single reciprocal lattice vector
double interferenceAtOneRecLatticePoint(double qx, double qy) const;
//! Returns reciprocal coordinates in the coordinate system rotated by the angle gamma
std::pair<double, double> rotateOrthonormal(double qx, double qy, double gamma) const;
//! Returns qx,qy coordinates of q - qint, where qint is a reciprocal lattice vector
//! bounding the reciprocal unit cell to which q belongs
std::pair<double, double> calculateReciprocalVectorFraction(double qx, double qy,
double xi) const;
bool m_integrate_xi; //!< Integrate over the orientation xi
std::unique_ptr<IProfile2D> m_decay;
std::unique_ptr<Lattice2D> m_lattice;
ReciprocalBases m_sbase; //!< reciprocal lattice is stored without xi
int m_na, m_nb; //!< determines the number of reciprocal lattice points to use
};
#endif // BORNAGAIN_SAMPLE_AGGREGATE_INTERFERENCE2DLATTICE_H
|
