38 lines
1.1 KiB
C++
38 lines
1.1 KiB
C++
// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
|
|
// SPDX-License-Identifier: GPL-3.0-only
|
|
|
|
#ifndef JFJOCH_BRAGGPREDICTIONROTATION_H
|
|
#define JFJOCH_BRAGGPREDICTIONROTATION_H
|
|
|
|
#include <vector>
|
|
#include <cstdint>
|
|
|
|
#include "../../common/CrystalLattice.h"
|
|
#include "../../common/DiffractionExperiment.h"
|
|
#include "../../common/Reflection.h"
|
|
|
|
struct BraggPredictionRotationSettings {
|
|
float high_res_A = 1.5f;
|
|
int max_hkl = 100;
|
|
char centering = 'P';
|
|
|
|
// Predict only in this image interval (inclusive)
|
|
int64_t image_first = 0;
|
|
int64_t image_last = 0;
|
|
|
|
// If true, expands [phi_start, phi_end] by one wedge on each side
|
|
// (useful if you later want to model partials / edge effects).
|
|
bool pad_one_wedge = false;
|
|
};
|
|
|
|
class BraggPredictionRotation {
|
|
public:
|
|
BraggPredictionRotation() = default;
|
|
|
|
std::vector<Reflection> Calc(const DiffractionExperiment& experiment,
|
|
const CrystalLattice& lattice,
|
|
const BraggPredictionRotationSettings& settings) const;
|
|
};
|
|
|
|
|
|
#endif //JFJOCH_BRAGGPREDICTIONROTATION_H
|