File scatter_factors.hpp

This file contains a class which manages the generation of the proper scattering factors which may depend on atom and q vector lengths.

Author: Benjamin Lindner ben@benlabs.net
Version: See VERSION in CMakeLists.txt
Copyright: GNU General Public License

class ReciprocalBox

#include <scatter_factors.hpp>

Public Functions

ReciprocalBox()

void set_all()

ImagNum get_sld()

double get_xlength()

double get_ylength()

double get_zlength()

CartesianCoor3D get_midpoint()

Private Members

ImagNum _sld

double _xlength

double _ylength

double _zlength

CartesianCoor3D _midpoint

class ScatterFactors

#include <scatter_factors.hpp>

Efficient management class for scattering factors.

Public Functions

ScatterFactors()

void set_selection(IAtomselection *selection)

void set_sample(Sample &sample)

IAtomselection *get_selection()

double get(size_t atomselectionindex) const

const std::vector<double> &get_all() const

ReciprocalBox get_recibox()

void update(CartesianCoor3D q)

void update_kappas()

void update_reciprocal_box()

double compute_background(CartesianCoor3D q, IAtomselection *selection = nullptr)

void set_background(bool status)

Private Members

Sample *p_sample

IAtomselection *p_selection

bool m_background

std::vector<double> factors

std::vector<double> m_kappas

ReciprocalBox _ReciBox