leonarski_f
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56 lines
1.8 KiB
C++
56 lines
1.8 KiB
C++
// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#pragma once
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#include <vector>
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#include "../../common/Logger.h"
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#include "../../common/DiffractionExperiment.h"
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#include "../../common/Reflection.h"
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struct MergeStatisticsShell {
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float d_min = 0.0f;
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float d_max = 0.0f;
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float mean_one_over_d2 = 0;
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int total_observations = 0;
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int unique_reflections = 0;
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int possible_unique_reflections = 0;
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double mean_i_over_sigma = 0.0;
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double cc_half = 0.0f;
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};
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struct MergeStatistics {
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std::vector<MergeStatisticsShell> shells;
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MergeStatisticsShell overall;
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void Print(Logger &logger) const;
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};
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struct MergeResult {
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std::vector<MergedReflection> merged;
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MergeStatistics statistics;
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};
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size_t CalcMergeMaskCC(const DiffractionExperiment &x,
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const std::vector<float> &scale_cc,
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std::vector<uint8_t> &result_mask);
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size_t CalcMergeMaskUnitCell(const DiffractionExperiment &x,
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const UnitCell &reference_cell,
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const std::vector<std::optional<UnitCell> > &unit_cells,
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std::vector<uint8_t> &mask);
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std::vector<MergedReflection> MergeAll(const DiffractionExperiment &x,
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const std::vector<std::vector<Reflection> > &reflections,
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const std::vector<uint8_t> &merge_mask = {});
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MergeStatistics MergeStats(const DiffractionExperiment &x,
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const std::vector<MergedReflection> &merged,
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const std::vector<std::vector<Reflection> > &reflections,
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const UnitCell &cell,
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const std::vector<uint8_t> &merge_mask = {});
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