leonarski_f
680c36c20d
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* `rugnux --mode calibration` writes `<prefix>.json` beside the `.poni`, whose `dataset_settings` member is a `jfjoch_broker` `dataset_settings` body as it stands. * `rugnux` and `jfjoch_viewer` read PILATUS miniCBF sweeps natively, without conversion. * Masters written by other facilities open, including Eiger 1.x and third-party NXmx variants. * `rugnux` measures the beam centre on every run, and indexes with it when the file's value indexes nothing. * A detector swung out on a 2theta arm is placed where the file says it stands, and the calibration can hold the tilt fixed. * `rugnux` writes the unmerged MTZ by default, and a P1 merge beside it, so a wrong space group can be re-merged without reprocessing. * Significant improvements to symmetry handling in `rugnux`: the lattice, the point group, the setting and the systematic absences. * The `rugnux` report gives the resolution the CC1/2 fit reached, beside the range the reflections were written to. * The `rugnux` report gives the twinning statistics measured before the space group was decided, beside the ones measured after. * The `rugnux` report gives the strong-direction diffraction limit, and warns when CC1/2 is not monotone with resolution. * `rugnux` ranks screw axes on the evidence their absences carry, rather than on how many control reflections a candidate happens to have. * Twinning is no longer reported when the L-test contradicts it. * The `rugnux` report gives the detector tilt, the measured tilt and the direct beam beside the beam centre, and a post-refined beam centre is judged against the run's own measurement rather than the file's. * `--no-refine-tilt` holds the detector tilt at the value in the file, instead of zeroing it, when the calibration starts from the spots. * The `jfjoch_viewer` grid scan view draws the cells in the proportion of the scan steps, so the map has the shape of the scanned area. Reviewed-on: #76 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
53 lines
1.5 KiB
C++
53 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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// This include should be only included in sections of the code, where it is certain that CUDA is present
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// so with JFJOCH_USE_CUDA preprocessor definition, given this file is included in the source only in this case
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#include <vector>
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#include <mutex>
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#include <optional>
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#include "CUDAMemHelpers.h"
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#include "../../common/Coord.h"
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#include "../../common/CrystalLattice.h"
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#include "FFTIndexer.h"
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#include "../common/IndexingSettings.h"
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#include "FFTResult.h"
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class FFTIndexerGPU : public FFTIndexer {
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CudaDevicePtr<float> d_dir_x;
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CudaDevicePtr<float> d_dir_y;
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CudaDevicePtr<float> d_dir_z;
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CudaDevicePtr<float> d_spot_x;
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CudaDevicePtr<float> d_spot_y;
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CudaDevicePtr<float> d_spot_z;
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CudaHostPtr<float> spot_x;
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CudaHostPtr<float> spot_y;
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CudaHostPtr<float> spot_z;
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CudaDevicePtr<float> d_input_fft;
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CudaDevicePtr<cufftComplex> d_output_fft;
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CudaDevicePtr<FFTResult> d_result_fft;
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CudaRegisteredVector<FFTResult> result_fft_reg;
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CudaFFTPlan plan;
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CudaStream stream;
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void ExecuteFFT(const std::vector<Coord> &coord, size_t nspots) override;
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void DirectionsChanged() override;
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public:
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explicit FFTIndexerGPU(const IndexingSettings& settings);
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FFTIndexerGPU(const FFTIndexerGPU &i) = delete;
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const FFTIndexerGPU &operator=(const FFTIndexerGPU &i) = delete;
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~FFTIndexerGPU() override = default;
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};
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