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Image buffer: the per-image CBOR metadata headroom had been re-derived from the online reflection cap alone, which cut it from 4 MiB to 2.55 MB while the measured worst case - reflections plus the capped spot list plus the three azimuthal arrays - is 2.9 MB, so the receiver dropped the frames with the most to say. Restore it and give it a name that both the code and its guard test read: written down twice, the two had drifted and the test kept passing against the value the code had left. Spot finding: an unset low_resolution_limit means no limit at that end, as an unset high_resolution_limit already did. An optional rather than a zero sentinel, because zero is not a natural "no limit" here - every pixel lies above it, so the plain comparison masked the whole image instead of none of it, and nothing validated the zero. The API field is no longer required; a zero is folded into the unset case at the boundary, where older clients still send it, so one spelling reaches the analysis code. The FPGA takes its fixed-point ceiling instead, since ap_ufixed<16,9> wraps above 512 A and would have masked everything. image_preprocessing: check the CUDA calls on the fused decode path - the one new GPU file with none, and the path fed by bytes we did not produce. An unchecked synchronise returned the host-written sentinel as if it were a measurement, so the decode looked successful and the fallback to the host decoder never fired. rugnux: --stride no longer writes one past the end of the per-image arrays, whose count floored where the worker loop ceils, and the written process file links the images actually processed rather than the first N - each frame's picture now sits next to its own analysis. Powder calibration: the face-centred calibrants no longer list their systematically absent rings, so the distance fit starts from a reflection that exists rather than an extinct one; the triclinic calibrant covers both signs of h and k instead of a single octant, which is only valid for a diagonal metric. The test asserted the old behaviour - one ring formula for every cubic standard - and is rewritten. CBOR: skip an unknown tagged value in the end block, as the other four blocks already do. One advance lands on the tagged item rather than past it, so an older reader fed a newer end message threw and never finalized its file. Viewer: a settings value the setter rejects no longer escapes as an uncaught throw from a worker slot, and the field offers only what the setter accepts. Space-group search: judge stage B on the same "present" cut stage A already computes. Merged sigma is floored so no reflection reads above ISa, so on a low-ISa merge the fixed cut left both stage B tests unsatisfiable - every screw axis passed unchallenged and the centering rescue switched itself off on exactly the weak data it exists for. Where the fixed cut is the smaller of the two they are equal and this is inert: over the 37-crystal rotation battery every crystal reports the identical space group and identical merge statistics, so it is a no-op there and the low-ISa case it targets remains unmeasured. rugnux: --polarization reaches --mode azint, which parsed the flag and then dropped it; that mode also applies the same polarization default as every other mode. Acknowledge the ACTS/traccc project, whose sparse connected-component labelling both spot extractors take their algorithm from, with its citation and its license. The rc.161 change list is brought back to one line per entry, and the user-visible changes that were missing from it added. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
435 lines
17 KiB
C++
435 lines
17 KiB
C++
// SPDX-FileCopyrightText: 2024 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 <chrono>
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#include <exception>
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#include <optional>
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#include "../compression/CompressionAlgorithmEnum.h"
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#include "UnitCell.h"
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#include "Coord.h"
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#include "Definitions.h"
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#include "JFJochMessages.h"
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#include "DetectorSetup.h"
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#include "../image_analysis/spot_finding/SpotFindingSettings.h"
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#include "DatasetSettings.h"
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#include "ROIMap.h"
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#include "InstrumentMetadata.h"
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#include "ImageFormatSettings.h"
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#include "DetectorSettings.h"
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#include "AzimuthalIntegrationSettings.h"
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#include "FileWriterSettings.h"
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#include "DiffractionGeometry.h"
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#include "CompressedImage.h"
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#include "IndexingSettings.h"
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#include "BraggIntegrationSettings.h"
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#include "ScalingSettings.h"
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#include <gemmi/symmetry.hpp>
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enum class DetectorMode {
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Standard, PedestalG0, PedestalG1, PedestalG2, DarkMask
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};
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struct AcquisitionDeviceNetConfig {
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std::string mac_addr;
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std::string ipv4_addr;
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uint64_t udp_port;
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};
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struct DetectorModuleConfig {
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uint64_t udp_dest_port_1;
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uint64_t udp_dest_port_2;
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std::string ipv4_src_addr_1;
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std::string ipv4_src_addr_2;
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std::string ipv4_dest_addr_1;
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std::string ipv4_dest_addr_2;
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std::string mac_addr_dest_1;
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std::string mac_addr_dest_2;
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uint32_t module_id_in_data_stream;
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uint32_t data_stream;
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};
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class DiffractionExperiment {
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int64_t ndatastreams;
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std::optional<std::chrono::microseconds> zmq_preview_period = std::chrono::seconds(1);
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DetectorMode mode;
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uint64_t series_id;
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// Dataset settings
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DatasetSettings dataset;
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InstrumentMetadata instrument;
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ImageFormatSettings image_format_settings;
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DetectorSettings detector_settings;
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AzimuthalIntegrationSettings az_integration_settings;
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DetectorSetup detector;
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FileWriterSettings file_writer;
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IndexingSettings indexing;
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BraggIntegrationSettings bragg_integration_settings;
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ScalingSettings scaling_settings;
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DarkMaskSettings dark_mask_settings;
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ROIMap roi_mask;
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int64_t summation;
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bool cpu_summation;
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std::string detector_update_zmq_addr;
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public:
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// Public methods are atomic
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DiffractionExperiment();
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DiffractionExperiment(const DetectorSetup& geom);
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// Methods below can be chained together
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DiffractionExperiment& Detector(const DetectorSetup& input);
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DiffractionExperiment& Mode(DetectorMode input);
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DiffractionExperiment& DataStreams(int64_t input);
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DiffractionExperiment& PedestalG0Frames(int64_t input);
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DiffractionExperiment& PedestalG1Frames(int64_t input);
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DiffractionExperiment& PedestalG2Frames(int64_t input);
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DiffractionExperiment& FrameTime(std::chrono::nanoseconds frame_time,
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std::chrono::nanoseconds in_count_time = std::chrono::nanoseconds(0));
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DiffractionExperiment& ZMQPreviewPeriod(const std::optional<std::chrono::microseconds> &input);
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DiffractionExperiment& UseInternalPacketGenerator(bool input);
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DiffractionExperiment& InternalPacketGeneratorImages(int64_t input);
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DiffractionExperiment& MaskModuleEdges(bool input);
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DiffractionExperiment& MaskChipEdges(bool input);
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DiffractionExperiment& QRangeForAzimInt_recipA(float low, std::optional<float> high);
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DiffractionExperiment& BkgEstimateQRange_recipA(float low, float high);
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DiffractionExperiment& QSpacingForAzimInt_recipA(float input);
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DiffractionExperiment& StorageCells(int64_t input);
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DiffractionExperiment& StorageCellStart(int64_t input = 15);
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DiffractionExperiment& UsingGainHG0(bool input);
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DiffractionExperiment& FixedGainG1(bool input);
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DiffractionExperiment& IncrementRunNumber();
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DiffractionExperiment& JungfrauConvPhotonCnt(bool input);
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DiffractionExperiment& PulsedSource(bool input);
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DiffractionExperiment& ImagesPerTrigger(int64_t input);
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DiffractionExperiment& NumTriggers(int64_t triggers);
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DiffractionExperiment& IncidentEnergy_keV(float input);
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DiffractionExperiment& BeamX_pxl(float input);
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DiffractionExperiment& BeamY_pxl(float input);
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DiffractionExperiment& DetectorDistance_mm(float input);
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DiffractionExperiment& FilePrefix(std::string input);
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DiffractionExperiment& FilePrefixTrusted(std::string input); // offline/local: no CheckPath guard (absolute allowed)
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DiffractionExperiment& Compression(CompressionAlgorithm input);
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DiffractionExperiment& SetUnitCell(const std::optional<UnitCell> &cell);
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DiffractionExperiment& SpaceGroupNumber(std::optional<int64_t> input);
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DiffractionExperiment& SampleName(const std::string &input);
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DiffractionExperiment& AttenuatorTransmission(const std::optional<float> &input);
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DiffractionExperiment& TotalFlux(const std::optional<float> &input);
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DiffractionExperiment& Goniometer(const std::optional<GoniometerAxis> &input);
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DiffractionExperiment& HeaderAppendix(const nlohmann::json& input);
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DiffractionExperiment& ImageAppendix(const nlohmann::json& input);
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DiffractionExperiment& Summation(int64_t input);
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DiffractionExperiment& MaxSpotCount(int64_t input);
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DiffractionExperiment& ImagesPerFile(int64_t input);
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DiffractionExperiment& LossyCompressionSerialMX(float input);
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DiffractionExperiment& LossyCompressionPoisson(const std::optional<int64_t> &input);
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DiffractionExperiment& SaveCalibration(const std::optional<bool> &input);
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DiffractionExperiment& ImportDatasetSettings(const DatasetSettings& input);
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DiffractionExperiment& EigerBitDepth(const std::optional<int64_t> &input);
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DiffractionExperiment& ImportInstrumentMetadata(const InstrumentMetadata& input);
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DiffractionExperiment& ApplyPixelMask(bool input);
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DiffractionExperiment& ElectronSource(bool input);
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DiffractionExperiment& OverwriteExistingFiles(bool input);
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DiffractionExperiment& SetFileWriterFormat(FileWriterFormat input);
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DiffractionExperiment& IndexingAlgorithm(IndexingAlgorithmEnum input);
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DiffractionExperiment& GeomRefinementAlgorithm(GeomRefinementAlgorithmEnum input);
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DiffractionExperiment& IndexingTolerance(float input);
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DiffractionExperiment& GridScan(const std::optional<GridScanSettings>& input);
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DiffractionExperiment& RingCurrent_mA(const std::optional<float>& input);
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DiffractionExperiment& SampleTemperature_K(const std::optional<float> &input);
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DiffractionExperiment& PoniRot1_rad(float input);
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DiffractionExperiment& PoniRot2_rad(float input);
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DiffractionExperiment& PoniRot3_rad(float input);
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DiffractionExperiment& FluorescenceSpectrum(const XrayFluorescenceSpectrum& input);
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DiffractionExperiment& DetectIceRings(bool input);
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DiffractionExperiment& RunNumber(uint64_t input);
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IndexingSettings GetIndexingSettings() const;
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DiffractionExperiment& ImportIndexingSettings(const IndexingSettings &input);
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InstrumentMetadata GetInstrumentMetadata() const;
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DiffractionExperiment& ImportImageFormatSettings(const ImageFormatSettings& input);
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ImageFormatSettings GetImageFormatSettings() const;
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DiffractionExperiment& ImportDetectorSettings(const DetectorSettings& input);
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DetectorSettings GetDetectorSettings() const;
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DiffractionExperiment& ImportAzimuthalIntegrationSettings(const AzimuthalIntegrationSettings& input);
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AzimuthalIntegrationSettings GetAzimuthalIntegrationSettings() const;
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// Highest q (2*pi/d) any pixel of the detector reaches, from the current geometry, and the same
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// limit as a resolution in Angstrom. This is what an unset azimuthal-integration high q and an unset
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// spot-finding high-resolution limit resolve to.
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[[nodiscard]] float GetDetectorMaxQ_recipA() const;
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[[nodiscard]] float GetDetectorMaxResolution_A() const;
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DiffractionExperiment& ImportBraggIntegrationSettings(const BraggIntegrationSettings& input);
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BraggIntegrationSettings GetBraggIntegrationSettings() const;
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DiffractionExperiment& ImportFileWriterSettings(const FileWriterSettings& input);
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FileWriterSettings GetFileWriterSettings() const;
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DiffractionExperiment &ImportDarkMaskSettings(const DarkMaskSettings &input);
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DarkMaskSettings GetDarkMaskSettings() const;
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DiffractionExperiment &ImportScalingSettings(const ScalingSettings& input);
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ScalingSettings GetScalingSettings() const;
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DatasetSettings GetDatasetSettings() const;
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void FillMessage(StartMessage &message) const;
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static void CheckDataProcessingSettings(const SpotFindingSettings& settings);
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static SpotFindingSettings DefaultDataProcessingSettings();
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DetectorMode GetDetectorMode() const;
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int64_t GetBitDepthReadout() const; // 12 bit is OK :)
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int64_t GetSaturationLimit() const;
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int64_t GetOverflow() const;
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int64_t GetUnderflow() const;
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int64_t GetPedestalG0Frames() const;
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int64_t GetPedestalG1Frames() const;
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int64_t GetPedestalG2Frames() const;
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int64_t GetImageNum() const;
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int64_t GetFrameNum() const;
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int64_t GetFrameNumPerTrigger() const;
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std::chrono::nanoseconds GetFrameTime() const;
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std::chrono::nanoseconds GetDetectorPeriod() const;
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std::chrono::nanoseconds GetImageTime() const;
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std::chrono::nanoseconds GetImageCountTime() const;
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std::chrono::nanoseconds GetFrameCountTime() const;
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bool GetFrameCountTimeAuto() const;
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DiffractionExperiment& StorageCellDelay(std::chrono::nanoseconds input);
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std::chrono::nanoseconds GetStorageCellDelay() const;
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DiffractionExperiment& DetectorDelay(std::chrono::nanoseconds input);
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std::chrono::nanoseconds GetDetectorDelay() const;
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int64_t GetMaxCompressedSize() const;
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int64_t GetImageBufferLocationSize() const;
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// Room reserved in every image-buffer slot for the per-image CBOR metadata, on top of the
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// compressed image. CBORSerialize_Image_MetadataHeadroom holds it against the largest metadata
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// the serializer can produce, so change the two together.
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static constexpr int64_t kImageMetadataHeadroom = 4 * 1024 * 1024;
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int64_t GetDataStreamsNum() const;
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int64_t GetModulesNum(uint16_t data_stream) const;
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int64_t GetModulesNum() const;
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int64_t GetFirstModuleOfDataStream(uint16_t data_stream) const;
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int64_t GetPixelsNum() const;
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int64_t GetYPixelsNum() const;
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int64_t GetXPixelsNum() const;
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int64_t GetPixelsNumConv() const; // This is actual / converted number
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int64_t GetYPixelsNumConv() const;
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int64_t GetXPixelsNumConv() const;
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int64_t GetPixel0OfModuleConv(uint16_t module_number) const;
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int64_t GetModuleFastDirectionStep(uint16_t module_number) const;
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int64_t GetModuleSlowDirectionStep(uint16_t module_number) const;
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Coord GetModuleFastDirection(uint16_t module_number) const;
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Coord GetModuleSlowDirection(uint16_t module_number) const;
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std::optional<std::chrono::microseconds> GetZMQPreviewPeriod() const;
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int64_t GetDefaultPlotBinning() const;
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bool IsUsingInternalPacketGen() const;
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int64_t GetInternalPacketGeneratorImages() const;
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uint32_t GetSrcIPv4Address(uint32_t data_stream, uint32_t half_module) const;
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bool GetMaskModuleEdges() const;
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bool GetMaskChipEdges() const;
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float GetLowQForAzimInt_recipA() const;
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float GetHighQForAzimInt_recipA() const;
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float GetQSpacingForAzimInt_recipA() const;
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float GetLowQForBkgEstimate_recipA() const;
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float GetHighQForBkgEstimate_recipA() const;
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int64_t GetStorageCellNumber() const;
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int64_t GetStorageCellStart() const;
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int64_t GetMaxSpotCount() const;
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float GetPixelSize_mm() const;
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std::string GetSourceName() const;
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std::string GetSourceType() const;
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std::string GetInstrumentName() const;
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std::string GetDetectorDescription() const;
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std::vector<std::string> GetDetectorModuleHostname() const;
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DiffractionExperiment& ApplySolidAngleCorr(bool input);
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DiffractionExperiment& PolarizationFactor(const std::optional<float> &input);
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DiffractionExperiment& BandwidthFWHM(const std::optional<float> &input);
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bool GetApplySolidAngleCorr() const;
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std::optional<float> GetPolarizationFactor() const;
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std::optional<float> GetBandwidthFWHM() const;
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int64_t GetUDPInterfaceCount() const;
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std::vector<DetectorModuleConfig> GetDetectorModuleConfig(const std::vector<AcquisitionDeviceNetConfig>& net_config) const;
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bool IsFixedGainG1() const;
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bool IsUsingGainHG0() const;
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uint64_t GetRunNumber() const;
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std::string GetRunName() const;
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bool IsJungfrauConvPhotonCnt() const;
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const DetectorSetup& GetDetectorSetup() const;
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DetectorSetup& Detector();
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bool IsPulsedSource() const;
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bool IsElectronSource() const;
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bool IsSpotFindingEnabled() const;
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float GetPhotonEnergyForConversion_keV() const;
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std::optional<float> GetAttenuatorTransmission() const;
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std::optional<float> GetTotalFlux() const;
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std::optional<GoniometerAxis> GetGoniometer() const;
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std::optional<GridScanSettings> GetGridScan() const;
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const nlohmann::json& GetHeaderAppendix() const;
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const nlohmann::json& GetImageAppendix() const;
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std::optional<UnitCell> GetUnitCell() const;
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std::string GetUnitCellString() const;
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std::optional<int64_t> GetSpaceGroupNumber() const;
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bool GetSaveCalibration() const;
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int64_t GetSummation() const;
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int64_t GetFPGASummation() const;
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std::string GetSampleName() const;
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float GetIncidentEnergy_keV() const;
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float GetWavelength_A() const;
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float GetBeamX_pxl() const;
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float GetBeamY_pxl() const;
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float GetDetectorDistance_mm() const;
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Coord GetScatteringVector() const;
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std::string GetFilePrefix() const;
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CompressionAlgorithm GetCompressionAlgorithm() const;
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int64_t GetNumTriggers() const;
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ROIMap& ROI();
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const ROIMap& ROI() const;
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std::vector<uint16_t> ExportROIMap() const;
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int64_t GetImagesPerFile() const;
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float GetLossyCompressionSerialMX() const;
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std::optional<int64_t> GetLossyCompressionPoisson() const;
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std::string GetExperimentGroup() const;
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std::optional<int64_t> GetPixelValueLowThreshold() const;
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DiffractionExperiment &PixelValueLowThreshold(const std::optional<int64_t>& input);
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std::optional<int64_t> GetPixelValueHighThreshold() const;
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DiffractionExperiment &PixelValueHighThreshold(const std::optional<int64_t>& input);
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DiffractionExperiment& BitDepthImage(const std::optional<int64_t> &input);
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DiffractionExperiment& PixelSigned(const std::optional<bool> &input);
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bool IsGeometryTransformed() const;
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DiffractionExperiment& GeometryTransformation(bool input);
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int64_t GetImageFillValue() const;
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DiffractionExperiment& JungfrauConversionFactor_keV(const std::optional<float> &input);
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std::optional<float> GetJungfrauConversionFactor_keV() const;
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DiffractionExperiment& AutoSummation(bool input);
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bool GetAutoSummation() const;
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int64_t GetByteDepthImage() const;
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int64_t GetByteDepthFPGA() const;
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bool IsPixelSigned() const;
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bool IsPedestalRun() const;
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DiffractionExperiment &Raw();
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DiffractionExperiment &Conversion();
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float GetPedestalG0RMSLimit() const;
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uint32_t GetPedestalMinImageCount() const;
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float GetEigerThreshold_keV() const;
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int64_t GetEigerBitDepth() const;
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DetectorTiming GetDetectorTiming() const;
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bool IsDetectorModuleSync() const;
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[[nodiscard]] DetectorType GetDetectorType() const;
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[[nodiscard]] bool IsMaskPixelsWithoutG0() const;
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[[nodiscard]] bool IsApplyPixelMask() const;
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DiffractionExperiment& CPUSummation(bool input);
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[[nodiscard]] bool IsCPUSummation() const;
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[[nodiscard]] FileWriterFormat GetFileWriterFormat() const;
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DiffractionGeometry GetDiffractionGeometry() const;
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void CalcAzIntCorrRawCoord(float *output, size_t module_number) const;
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void CalcSpotFinderResolutionMap(float *data, size_t module_number) const;
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CompressedImageMode GetImageMode() const;
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// Resolves the configured algorithm to a concrete one from GPU availability and
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// unit-cell presence: Auto -> FFTW/FFT/FFBIDX, and FFBIDX without a cell -> None.
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// Never returns Auto - the indexer pool relies on this and cannot resolve Auto itself.
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IndexingAlgorithmEnum GetIndexingAlgorithm() const;
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GeomRefinementAlgorithmEnum GetGeomRefinementAlgorithm() const;
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float GetIndexingTolerance() const;
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std::optional<float> GetSampleTemperature_K() const;
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std::optional<float> GetRingCurrent_mA() const;
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float GetPoniRot1_rad() const;
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float GetPoniRot2_rad() const;
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float GetPoniRot3_rad() const;
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std::optional<gemmi::SpaceGroup> GetGemmiSpaceGroup() const;
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gemmi::CrystalSystem GetCrystalSystem() const;
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std::string GetSpaceGroupName() const;
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char GetCentering() const;
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const XrayFluorescenceSpectrum &GetFluorescenceSpectrum() const;
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bool IsDetectIceRings() const;
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int64_t GetDarkMaskNumberOfFrames() const;
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bool IsRotationIndexing() const;
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std::optional<double> GetRotationWedgeForScaling() const;
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bool GetRefineRotationWedgeInScaling() const;
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};
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