leonarski_f
d6389e12da
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use. * jfjoch_process: Major rotation (rot3d) data processing overhaul - robust profile-fit integration, Cauchy-loss scaling with optional absorption surface, de-novo indexing and space-group/centering determination fixes, and merging statistics + ISa in the mmCIF output. * jfjoch_process: Add EXPERIMENTAL ice-ring detection (--detect-ice-rings) that excludes ice reflections from scaling. * Compression: Add BSHUF_ZSTD_RLE_HUFF, make compression size-aware (drop frames that don't fit rather than aborting), and add the jfjoch_recompress tool. * jfjoch_viewer: Report "Multiple lattices detected" and grey out "Analyze dataset" on a live connection. * jfjoch_broker: Write smargon chi/phi goniometer positions to NXmx; read sensor thickness/material from HDF5 metadata. * CI: Build Windows (CUDA and non-CUDA) installers.Reviewed-on: #66 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
42 lines
1.7 KiB
C++
42 lines
1.7 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 <optional>
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// Spot-intensity extraction method used by the Bragg integration engine. ProfileGaussian (default)
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// profile-fits with a measured-width Gaussian (Kabsch-style) - more accurate intensities than the
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// classical uniform BoxSum; validated on HEWL anomalous (stronger S/Cl peaks vs box-sum). BoxSum is
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// the simpler, faster fallback. ProfileEmpirical learns the profile per resolution shell from strong
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// spots - see bragg_integration/BRAGG_INTEGRATION_ENGINE.md.
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enum class IntegratorMode { BoxSum, ProfileGaussian, ProfileEmpirical };
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class BraggIntegrationSettings {
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IntegratorMode integrator_mode = IntegratorMode::ProfileGaussian;
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float r_1 = 4;
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float r_2 = 6;
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float r_3 = 10;
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float d_min_limit_A = 1.0;
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std::optional<float> fixed_profile_radius;
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float minimum_sigma_in_regards_to_i = 0.02;
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public:
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BraggIntegrationSettings& R1(float input);
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BraggIntegrationSettings& R2(float input);
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BraggIntegrationSettings& R3(float input);
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BraggIntegrationSettings& DMinLimit_A(float input);
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BraggIntegrationSettings& FixedProfileRadius_recipA(std::optional<float> input);
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BraggIntegrationSettings& Integrator(IntegratorMode input);
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[[nodiscard]] IntegratorMode GetIntegrator() const;
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[[nodiscard]] float GetR1() const;
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[[nodiscard]] float GetR2() const;
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[[nodiscard]] float GetR3() const;
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[[nodiscard]] std::optional<float> GetFixedProfileRadius_recipA() const;
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[[nodiscard]] float GetDMinLimit_A() const;
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[[nodiscard]] float GetMinimumSigmaInRegardsToI() const;
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};
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