29 lines
848 B
C++
29 lines
848 B
C++
// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
|
|
// SPDX-License-Identifier: GPL-3.0-only
|
|
|
|
#ifndef JFJOCH_BRAGGPREDICTION_H
|
|
#define JFJOCH_BRAGGPREDICTION_H
|
|
|
|
#include <cstdint>
|
|
#include <map>
|
|
|
|
#include "../common/CrystalLattice.h"
|
|
#include "../common/DiffractionExperiment.h"
|
|
#include "../common/Reflection.h"
|
|
|
|
class BraggPrediction {
|
|
std::multimap<float, Reflection> reflections;
|
|
int max_hkl = 50;
|
|
public:
|
|
BraggPrediction(const DiffractionExperiment& experiment,
|
|
const CrystalLattice& lattice,
|
|
float high_res_A = 1.5,
|
|
float angle_dist_cutoff = 0.5);
|
|
|
|
const std::multimap<float, Reflection> &GetReflections() const;
|
|
std::vector<Reflection> GetReflections(float max_radius) const;
|
|
};
|
|
|
|
|
|
#endif //JFJOCH_BRAGGPREDICTION_H
|