leonarski_f
f3e0a15d26
All checks were successful
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 10m51s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 8m0s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 9m6s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 10m7s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 9m47s
Build Packages / Generate python client (push) Successful in 29s
Build Packages / Build documentation (push) Successful in 43s
Build Packages / Create release (push) Has been skipped
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 10m46s
Build Packages / build:rpm (rocky8) (push) Successful in 9m33s
Build Packages / Unit tests (push) Has been skipped
Build Packages / build:rpm (ubuntu2204) (push) Successful in 8m47s
Build Packages / build:rpm (rocky9) (push) Successful in 9m55s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 9m4s
This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.124. * jfjoch_broker: Default EIGER readout time is 20 microseconds * jfjoch_broker: Multiple improvements regarding performance * jfjoch_broker: Image buffer allows to track frames in preparation and sending * jfjoch_broker: Dedicated thread for ZeroMQ transmission to better utilize the image buffer * jfjoch_broker: Experimental implementation of transmission with raw TCP/IP sockets * jfjoch_writer: Fixes regarding properly closing files in long data collections * jfjoch_process: Scale & merge has been significantly improved, but it is not yet integrated into mainstream code Reviewed-on: #34
72 lines
2.6 KiB
C++
72 lines
2.6 KiB
C++
// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
|
|
// SPDX-License-Identifier: GPL-3.0-only
|
|
|
|
#ifndef JFJOCH_INDEXANDREFINE_H
|
|
#define JFJOCH_INDEXANDREFINE_H
|
|
|
|
#include <vector>
|
|
#include <mutex>
|
|
|
|
#include "../common/DiffractionSpot.h"
|
|
#include "../common/DiffractionExperiment.h"
|
|
#include "bragg_prediction/BraggPrediction.h"
|
|
#include "indexing/IndexerThreadPool.h"
|
|
#include "lattice_search/LatticeSearch.h"
|
|
#include "scale_merge/ScaleAndMerge.h"
|
|
#include "RotationIndexer.h"
|
|
#include "RotationParameters.h"
|
|
|
|
class IndexAndRefine {
|
|
const bool index_ice_rings;
|
|
const DiffractionExperiment& experiment;
|
|
const DiffractionGeometry geom_;
|
|
|
|
std::optional<CrystalLattice> indexed_lattice;
|
|
|
|
std::optional<GoniometerAxis> axis_;
|
|
|
|
IndexerThreadPool *indexer_;
|
|
std::unique_ptr<RotationIndexer> rotation_indexer;
|
|
|
|
RotationParameters rotation_parameters;
|
|
|
|
struct IndexingOutcome {
|
|
std::optional<CrystalLattice> lattice_candidate;
|
|
DiffractionExperiment experiment;
|
|
LatticeMessage symmetry{
|
|
.centering = 'P',
|
|
.niggli_class = 0,
|
|
.crystal_system = gemmi::CrystalSystem::Triclinic
|
|
};
|
|
bool beam_center_updated = false;
|
|
|
|
explicit IndexingOutcome(const DiffractionExperiment& experiment_ref)
|
|
: experiment(experiment_ref) {}
|
|
};
|
|
|
|
mutable std::mutex reflections_mutex;
|
|
std::vector<std::vector<Reflection>> reflections;
|
|
std::vector<double> mosaicity;
|
|
|
|
IndexingOutcome DetermineLatticeAndSymmetry(DataMessage &msg);
|
|
void RefineGeometryIfNeeded(DataMessage &msg, IndexingOutcome &outcome);
|
|
void QuickPredictAndIntegrate(DataMessage &msg,
|
|
const SpotFindingSettings &spot_finding_settings,
|
|
const CompressedImage &image,
|
|
BraggPrediction &prediction,
|
|
const IndexingOutcome &outcome);
|
|
public:
|
|
IndexAndRefine(const DiffractionExperiment &x, IndexerThreadPool *indexer);
|
|
void ProcessImage(DataMessage &msg, const SpotFindingSettings &settings, const CompressedImage &image, BraggPrediction &prediction);
|
|
|
|
/// Run scale-and-merge on accumulated reflections to refine per-image
|
|
/// mosaicity (and optionally B-factors / scale factors).
|
|
/// Returns std::nullopt if there are too few reflections to be meaningful.
|
|
std::optional<ScaleMergeResult> ScaleRotationData(const ScaleMergeOptions &opts = {}) const;
|
|
|
|
std::optional<RotationIndexerResult> Finalize();
|
|
};
|
|
|
|
|
|
#endif //JFJOCH_INDEXANDREFINE_H
|