Scaling/Merging: Clean-up data structures
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@@ -2,9 +2,11 @@
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// SPDX-License-Identifier: GPL-3.0-only
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#include "UpdateReflectionResolution.h"
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#include "IntegrationOutcome.h"
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#include "../common/CrystalLattice.h"
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ResolutionStats UpdateReflectionResolution(const UnitCell &cell, std::vector<std::vector<Reflection> > &reflections) {
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ResolutionStats UpdateReflectionResolution(const UnitCell &cell, std::vector<IntegrationOutcome > &reflections) {
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ResolutionStats ret;
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CrystalLattice latt(cell);
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@@ -13,12 +15,12 @@ ResolutionStats UpdateReflectionResolution(const UnitCell &cell, std::vector<std
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const auto cstar = latt.Cstar();
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for (auto &image: reflections) {
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if (!image.empty()) {
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if (!image.reflections.empty()) {
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ret.n_images++;
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ret.n_reflections += image.size();
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ret.n_reflections += image.reflections.size();
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}
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for (auto &r: image) {
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for (auto &r: image.reflections) {
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Coord q = r.h * astar + r.k * bstar + r.l * cstar;
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auto qlen = q.Length();
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if (qlen > 1e-6) {
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