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v1.0.0-rc.181 (#92)
* Rugnux: Several rotation sweeps of one crystal are merged as one dataset (`rugnux a_master.h5 b_master.h5`), on a common indexing and cell, with a non-isomorphous sweep left out and reported; `--sweeps separate` processes each sweep on its own. Bruker `.sfrm` frames and imgCIF files with a full goniometer axis chain are read.
* Rugnux: More robust rotation processing - a retry with a more sensitive spot finder when no lattice is found, a self-consistent detector distance, long axes and doubled cells tested as hypotheses, a `-C` supercell multiple stepped down, and each ice ring merged, down-weighted or rejected on its own.
* Rugnux: Serial stills are merged with a partiality-aware error model, reported as `ERROR_MODEL_A/B/C` with no ISa or R_merge/R_meas/R_pim; runs without `-S` have an overall intensity scale about 0.86-0.88 times that of earlier versions, with unchanged statistics. A second crystal form is left out of the merge and reported, the indexing ambiguity is resolved more reliably, and `--model` no longer influences processing.
* Rugnux: The reported CC1/2 is the standard unweighted one, which can be lower than before on sweeps with weak frames; ISa comes with a 95% interval (`ISA_LOW`/`ISA_HIGH`).
* Rugnux: Model refinement adds anisotropic/TLS, local NCS and twin refinement where R-free supports them; building waters and relabelling ions is now off by default (`--refine-solvent` turns it on).
* NXmx: A detector of several modules is written as `module_0` ... `module_N` only, so DIALS reads each module as its own panel.
* Other: JPEG previews use a bundled encoder (libjpeg-turbo no longer needed), Rugnux prints how to cite it, and the release archives contain the HTML documentation.

Reviewed-on: #92
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-11-02 12:05:20 +01:00

66 lines
3.0 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <string>
#include <vector>
#include "JFJochReader.h"
#include "MiniCBF.h"
// Reads a rotation sweep straight from a directory of PILATUS miniCBF files - the form most
// facilities still archive - with no conversion step and no libcbf.
//
// The sweep's geometry comes from the first file's header; the rotation angle of each image comes
// from its own header, which costs only the bytes up to the binary separator. Images are decoded on
// demand, one per call, so any number of workers can read at once - there is no global lock as there
// is on the HDF5 path, HDF5 not being thread-safe.
//
// A raw CBF carries no analysis results, so this reader has no spots, no reflections and no snapshots;
// the dataset it builds is the geometry, the mask and nothing else, exactly as a plain DECTRIS file
// with no /entry/MX would give.
class JFJochCBFReader : public JFJochReader {
std::vector<std::string> files_;
std::shared_ptr<JFJochReaderDataset> dataset_;
minicbf::Header header0_;
bool LoadImage_i(std::shared_ptr<JFJochReaderDataset> &dataset,
DataMessage &message,
std::vector<uint8_t> &buffer,
int64_t image_number,
bool update_dataset) override;
// Decodes one image into the caller's byte buffer (RawByteBuffer or std::vector<uint8_t>) and
// returns the image that points at it. The compressed file is read through scratch, which the
// caller keeps between frames.
template <class Buffer>
CompressedImage DecodeInto(int64_t image_number, Buffer &buffer, std::vector<uint8_t> &scratch) const;
public:
~JFJochCBFReader() override = default;
// True if the path names something this reader can open: a miniCBF file, or a directory holding
// at least one. Cheap - it reads a few kB at most.
static bool CanRead(const std::string &path);
// path is a directory of *.cbf, or one *.cbf inside the sweep to take the whole directory from.
void ReadFiles(const std::string &path);
[[nodiscard]] uint64_t GetNumberOfImages() const override;
void Close() override;
// Whether the sweep really has an image at this point. A deposited series can be missing frames,
// and they are kept as gaps so that every image keeps the spindle angle its own header states;
// ReadRawImage hands such a slot back as "nothing to read".
[[nodiscard]] bool HasImage(int64_t image_number) const;
// Whether the pixel values are ADU rather than counted photons: a full imgCIF header that names a
// CCD, which is what Bruker's conversion of its frames states. A PILATUS miniCBF counts photons.
[[nodiscard]] bool CountsInADU() const;
bool ReadRawImage(int64_t image_number, JFJochReaderRawImage &image) override;
[[nodiscard]] std::vector<SpotToSave> ReadSpots(int64_t image) const override;
};