leonarski_fandClaude Opus 4.8
49963ab855
Indexing-ambiguity detection/resolution is no longer part of scaling: it
is a dedicated per-image step for stills (or a post-full-merge step for
rotation). Pull the stills per-image resolver out of ScaleOnTheFly into a
new ReindexAmbiguityResolver in ReindexAmbiguity.{h,cpp}, alongside the
existing rotation free functions (ChooseReindex / ReferenceIntensityCC).
Both workflows now share the operator generation and the best-op
selection (new file-local PickBestReindex helper); ChooseReindex is
rewired onto it. ScaleOnTheFly is now purely a scaling engine (no
ambiguity_ops, no resolve_ambiguity flag, no ResolveIndexingAmbiguity).
Pure refactor: behaviour is unchanged. IndexAndRefine now holds a
ReindexAmbiguityResolver and calls Resolve() at the same call site.
Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
45 lines
1.5 KiB
C++
45 lines
1.5 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 "HKLKey.h"
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#include "Merge.h"
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#include "../../common/DiffractionExperiment.h"
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#include "../IntegrationOutcome.h"
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#include <map>
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#include <vector>
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struct ScaleOnTheFlyResult {
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double B = 0;
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double G = 1.0;
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double cc = NAN;
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size_t cc_n = 0;
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float time_s = 0.0;
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bool succesful = false;
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};
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// Per-image reference scaling with the FIXED partiality model: each reflection's stored partiality is
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// used as-is (it is 1 for stills and the zeta/erf rocking-curve value already set at prediction for
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// rotation data). No partiality recompute, no mosaicity or wedge refinement. The B-factor may be refined
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// (Ceres); otherwise the fit is linear in G (a robust 1-D IRLS). Rotation self-scaling/merging offline
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// uses the dedicated RotationScaleMerge path instead.
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class ScaleOnTheFly {
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constexpr static size_t MIN_REFLECTIONS = 20;
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const ScalingSettings s;
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const HKLKeyGenerator hkl_key_generator;
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std::map<HKLKey, double> reference_data;
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bool Accept(const Reflection &r) const;
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[[nodiscard]] std::pair<double, size_t> CalculateGlobalCC(const std::vector<Reflection> &reflections) const;
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public:
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ScaleOnTheFly(const DiffractionExperiment &x, const std::vector<MergedReflection> &ref);
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void Scale(IntegrationOutcome &integration_outcome) const;
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void Scale(std::vector<IntegrationOutcome> &integration_outcome, size_t nthreads = 0) const;
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};
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