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* `rugnux --model` reports CC(model, data) - the correlation of the merged intensities with the placed, scaled model - by resolution shell, on the same shells as CC1/2, with the reflection count and a significance for each. * `rugnux --model` fits the model's scale, anisotropic B and bulk-solvent parameters on the working reflections only, so the R-free it reports is measured against a model no free reflection helped scale. * The bulk-solvent parameters of `rugnux --model` are searched over their physically meaningful range instead of being fitted without bounds, so a model is never scaled with a solvent term that has silently switched itself off. * The rigid-body placement of `rugnux --model` uses the same bounded bulk solvent as the reported fit, so a model is no longer placed against a target carrying a solvent term with no physical meaning. * `rugnux --model` puts the model into the data's own description of the lattice before placing it, so a model whose cell is written on other axes - I-centred where the run indexed C-centred, a different unique axis, a permuted orthorhombic cell - is placed rather than scored where it was read; `MODEL_CHANGE_OF_BASIS=` and `MODEL_SETTING_AS_READ=` report it when it happens. * The rugnux results report opens with a summary - `VERDICT=` (`OK`, `WARNINGS`, `UNUSABLE`, `FAILED`), `VERDICT_TEXT=`, `PATHOLOGY_FLAGS=` with one closed-vocabulary code per condition that warned, and the `WARNING:` lines, which used to close the file - and the sections after it are renumbered 1-5 with no gaps. * `rugnux --developer` writes the full results report - the pipeline-internal keys and the long explanations the default report now leaves out - and `--finalist-ledger` adds the evidence for every space group the search considered, not only the one it adopted. * The results report warns when the merged data carry no usable signal and when too little of reciprocal space was measured inside the fitted resolution, and omits `FITTED_RESOLUTION` where the CC1/2 curve it is fitted on never falls off. * rugnux detects translational pseudo-symmetry and reports it under the `PSEUDO_TRANSLATION` flag as `TNCS_DETECTED=` and the `TNCS_*` keys - a translation the merged data are exactly invariant under is reported as `UNDECLARED_LATTICE_TRANSLATION=` under `LATTICE_TRANSLATION` instead - and a detected pseudo-translation can no longer buy a false screw axis in the space-group search or hide a twin from the L-test (`L_TEST_VS_TNCS=`). * The space-group search determines glide planes from zonal systematic absences, so a non-Sohncke space group such as P 2_1/c or Pbca is named where the run previously stopped at its Sohncke subgroup; `SOHNCKE_SPACE_GROUP=` carries the best Sohncke group beside it on every run that searched, and a centre of symmetry is never claimed. * Where the cell metric carries more rotational symmetry than the Bravais class the indexer named, the extra rotations are put to the intensities and the space-group search is asked again on the metric's own cell - adopted only where the intensities confirm the higher symmetry - so a lattice that is nearly but not exactly hexagonal, or whose reduction landed in a sub-cell, still reaches its true point group. * Systematic-absence calls rest on the evidence rather than on counts: a screw axis whose absent class the data show extinct is no longer refused because a handful of reflections in it read as present, and `SPACE_GROUP_ALTERNATIVES=` no longer drops a candidate that differs only on a zone the sweep never measured. * A reference correlation measured on too few reflections is refused instead of scored zero, so a run given a reference MTZ is no longer reindexed on an operator that mapped almost everything outside the reference's coverage. * A frame counts as indexed from 6 spots on its lattice rather than 9, so a weakly diffracting crystal whose frames cannot carry 9 is no longer refused the lattice it fits; `--min-indexed-spots` overrides it. * `-C` accepts a known cell in any equivalent description - conventional or primitive, centred or not - instead of only the reduced primitive form, so a centred cell given the way it is published no longer makes the run report that it found no lattice. * Each reflection is corrected for the sensor's quantum efficiency at the angle it meets the detector (attenuation lengths from the NIST tables, which also fixes the spot-width parallax term on CdTe) and for the attenuation of the flight path between the sample and its pixel; `--flight-path air|helium|vacuum` declares the medium - default air, since no file states it - and the report says what was assumed and what it was worth. The unmerged MTZ records the factors in new `QE` and `FLIGHT` columns beside `LP`, so raw counts are `I / LP * QE * FLIGHT`, and `_process.h5` in new optional `qe` and `flight` datasets. * Rotation geometry post-refinement fits the crystal and the detector at once, against the observed spot positions and the observed rocking angles together, so the refined distance depends far less on how wrong the file's distance was. * A coarsely sliced sweep integrates correctly: partials are joined into one rocking event by angle rather than by frame count, so two crossings of the Ewald sphere are no longer summed into one full, and at 0.5 degrees per image or coarser the per-frame geometry refinement accepts a spot whose miss the exposure's own rotation accounts for. * `rugnux --mode scale` reports the detector tilt and direct beam of the geometry it re-scaled at, instead of zeros that read as a flat detector, and no longer warns that no image was indexed on a run whose lattice came from its input file. * Every rotation run that determined a space group and merged reports what the mounting cost: `SPINDLE_LOST_UNIQUE_FRACTION=` is the fraction (0-1) of unique reflections the mounting made unmeasurable under the measured point group, also written to the master as `/entry/MX/spindleLostUniqueFraction` and what the mounting warning fires on; `SPINDLE_SYMMETRY_AXIS_ANGLE_DEG=` / `SPINDLE_SYMMETRY_AXIS_ORDER=` describe the mounting in the `--developer` report. * Stills and grid scans carry a per-image `spindle_blind_fraction` - how much of a rotation sweep's blind cone this orientation would make unrecoverable, 0.5 and above calling for a second orientation - through the CBOR stream, HDF5 (`/entry/MX/spindleBlindFraction`), the plot and scan-result APIs, and the viewer and frontend plots; an absent value means the frame could not be assessed and is not a 0. * The results report's `REPORT_VERSION` is 7. Reviewed-on: #77 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
1027 lines
48 KiB
C++
1027 lines
48 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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#include "CBORStream2Serializer.h"
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#include "tinycbor/cbor.h"
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#include "CborErr.h"
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#include "CborUtil.h"
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#include "../compression/JFJochCompressor.h"
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#include <nlohmann/json.hpp>
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inline void CBOR_ENC(CborEncoder &encoder, const char* key, const char* value) {
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encode_text_stringz(&encoder, value));
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}
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inline void CBOR_ENC(CborEncoder &encoder, const char* key, const std::string &value) {
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encode_text_stringz(&encoder, value.c_str()));
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}
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inline void CBOR_ENC_DATE(CborEncoder &encoder, const char* key, const std::string &value) {
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cbor_encode_tag(&encoder, CborDateTimeStringTag);
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cborErr(cbor_encode_text_stringz(&encoder, value.c_str()));
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}
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inline void CBOR_ENC(CborEncoder &encoder, const char* key, float value) {
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encode_float(&encoder, value));
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}
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inline void CBOR_ENC(CborEncoder &encoder, const char* key, bool value) {
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encode_boolean(&encoder, value));
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}
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inline void CBOR_ENC(CborEncoder &encoder, const char* key, uint64_t value) {
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encode_uint(&encoder, value));
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}
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inline void CBOR_ENC(CborEncoder &encoder, const char* key, int64_t value) {
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encode_int(&encoder, value));
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}
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template <class T>
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void CBOR_ENC(CborEncoder &encoder, const char* key, const std::optional<T> &value) {
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if (value)
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CBOR_ENC(encoder, key, value.value());
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}
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void CBOR_ENC_COMPRESSED(CborEncoder &encoder,
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const void *image, size_t image_size,
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CompressionAlgorithm algorithm,
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size_t elem_size) {
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if (algorithm == CompressionAlgorithm::NO_COMPRESSION)
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cborErr(cbor_encode_byte_string(&encoder, (uint8_t *) image, image_size));
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else {
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cbor_encode_tag(&encoder, TagDECTRISCompression);
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CborEncoder arrayEncoder;
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cborErr(cbor_encoder_create_array(&encoder, &arrayEncoder, 3));
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switch (algorithm) {
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case CompressionAlgorithm::BSHUF_LZ4:
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cborErr(cbor_encode_text_stringz(&arrayEncoder, "bslz4"));
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break;
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case CompressionAlgorithm::BSHUF_ZSTD:
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case CompressionAlgorithm::BSHUF_ZSTD_RLE:
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case CompressionAlgorithm::BSHUF_ZSTD_RLE_HUFF:
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cborErr(cbor_encode_text_stringz(&arrayEncoder, "bszstd"));
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break;
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default:
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throw JFJochException(JFJochExceptionCategory::CBORError, "Unsupported compression algorithm");
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}
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cborErr(cbor_encode_uint(&arrayEncoder, elem_size));
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cborErr(cbor_encode_byte_string(&arrayEncoder, (uint8_t *) image, image_size));
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cborErr(cbor_encoder_close_container(&encoder, &arrayEncoder));
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}
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}
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inline void CBOR_ENC_2D_TYPED_ARRAY(CborEncoder &encoder, const CompressedImage& image) {
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//if ((algorithm == CompressionAlgorithm::NO_COMPRESSION) && (xpixel * ypixel != image_size / elem_size))
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// throw JFJochException(JFJochExceptionCategory::CBORError, "Mismatch in array size");
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CborEncoder arrayEncoder, arrayEncoder_2;
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cborErr(cbor_encode_text_stringz(&encoder, image.GetChannel().c_str()));
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cbor_encode_tag(&encoder, TagMultiDimArray);
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cborErr(cbor_encoder_create_array(&encoder, &arrayEncoder, 2));
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if (image.GetMode() == CompressedImageMode::RGB) {
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cborErr(cbor_encoder_create_array(&arrayEncoder, &arrayEncoder_2, 3));
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cborErr(cbor_encode_uint(&arrayEncoder_2, 3));
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cborErr(cbor_encode_uint(&arrayEncoder_2, image.GetHeight()));
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cborErr(cbor_encode_uint(&arrayEncoder_2, image.GetWidth()));
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cborErr(cbor_encoder_close_container(&arrayEncoder, &arrayEncoder_2));
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} else {
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cborErr(cbor_encoder_create_array(&arrayEncoder, &arrayEncoder_2, 2));
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cborErr(cbor_encode_uint(&arrayEncoder_2, image.GetHeight()));
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cborErr(cbor_encode_uint(&arrayEncoder_2, image.GetWidth()));
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cborErr(cbor_encoder_close_container(&arrayEncoder, &arrayEncoder_2));
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}
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CborTag typed_array_tag;
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switch (image.GetMode()) {
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case CompressedImageMode::RGB:
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case CompressedImageMode::Uint8:
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typed_array_tag = TagUnsignedInt8Bit;
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break;
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case CompressedImageMode::Uint16:
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typed_array_tag = TagUnsignedInt16BitLE;
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break;
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case CompressedImageMode::Uint32:
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typed_array_tag = TagUnsignedInt32BitLE;
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break;
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case CompressedImageMode::Int8:
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typed_array_tag = TagSignedInt8Bit;
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break;
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case CompressedImageMode::Int16:
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typed_array_tag = TagSignedInt16BitLE;
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break;
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case CompressedImageMode::Int32:
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typed_array_tag = TagSignedInt32BitLE;
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break;
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case CompressedImageMode::Float16:
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typed_array_tag = TagHalfLE;
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break;
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case CompressedImageMode::Float32:
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typed_array_tag = TagFloatLE;
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break;
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case CompressedImageMode::Float64:
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typed_array_tag = TagDoubleLE;
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break;
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default:
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throw JFJochException(JFJochExceptionCategory::CBORError, "Image mode not supported");
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}
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cbor_encode_tag(&arrayEncoder, typed_array_tag);
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CBOR_ENC_COMPRESSED(arrayEncoder, image.GetCompressed(),
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image.GetCompressedSize(), image.GetCompressionAlgorithm(),
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image.GetByteDepth());
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cborErr(cbor_encoder_close_container(&encoder, &arrayEncoder));
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}
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inline void CBOR_ENC(CborEncoder &encoder, const char* key, const std::vector<float>& v) {
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encode_tag(&encoder, TagFloatLE));
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cborErr(cbor_encode_byte_string(&encoder, (uint8_t *) v.data(), v.size() * sizeof(float)));
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}
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inline void CBOR_ENC_FLOAT_ARRAY_NOKEY(CborEncoder &encoder, const std::vector<float>& v) {
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cborErr(cbor_encode_tag(&encoder, TagFloatLE));
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cborErr(cbor_encode_byte_string(&encoder, (uint8_t *) v.data(), v.size() * sizeof(float)));
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}
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inline void CBOR_ENC(CborEncoder &encoder, const char* key, const std::vector<uint8_t>& v) {
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encode_tag(&encoder, TagUnsignedInt8Bit));
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cborErr(cbor_encode_byte_string(&encoder, v.data(), v.size() * sizeof(uint8_t)));
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}
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inline void CBOR_ENC(CborEncoder &encoder, const char* key, const std::vector<int32_t>& v) {
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encode_tag(&encoder, TagSignedInt32BitLE));
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cborErr(cbor_encode_byte_string(&encoder, reinterpret_cast<const uint8_t *>(v.data()), v.size() * sizeof(int32_t)));
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}
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inline void CBOR_ENC(CborEncoder &encoder, const char* key, const std::vector<int64_t>& v) {
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encode_tag(&encoder, TagSignedInt64BitLE));
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cborErr(cbor_encode_byte_string(&encoder, reinterpret_cast<const uint8_t *>(v.data()), v.size() * sizeof(int64_t)));
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}
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inline void CBOR_ENC(CborEncoder &encoder, const char* key, const std::vector<uint64_t>& v) {
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encode_tag(&encoder, TagUnsignedInt64BitLE));
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cborErr(cbor_encode_byte_string(&encoder, (uint8_t *) v.data(), v.size() * sizeof(uint64_t)));
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}
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inline void CBOR_ENC_RATIONAL(CborEncoder &encoder, const char* key, uint64_t numerator, uint64_t denominator) {
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CborEncoder arrayEncoder;
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encoder_create_array(&encoder, &arrayEncoder, 2));
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cborErr(cbor_encode_uint(&arrayEncoder, numerator));
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cborErr(cbor_encode_uint(&arrayEncoder, denominator));
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cborErr(cbor_encoder_close_container(&encoder, &arrayEncoder));
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}
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inline void CBOR_ENC(CborEncoder &encoder, const char* key, const std::map<std::string, float> &val) {
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CborEncoder mapEncoder;
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, val.size()));
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for (auto &[map_key, map_val]: val)
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CBOR_ENC(mapEncoder, map_key.c_str(), map_val);
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cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
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}
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inline void CBOR_ENC_RAD_INT_RESULT(CborEncoder &encoder, const char* key,
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const std::map<std::string, std::vector<float>> &az_int_result) {
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CborEncoder mapEncoder;
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, az_int_result.size()));
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for (auto &[map_key, map_val]: az_int_result)
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CBOR_ENC(mapEncoder, map_key.c_str(), map_val);
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cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
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}
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inline void CBOR_ENC_ADU_HIST(CborEncoder &encoder, const char* key,
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const std::map<std::string, std::vector<uint64_t>> &adu_histogram) {
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CborEncoder mapEncoder;
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, adu_histogram.size()));
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for (auto &[map_key, map_val]: adu_histogram)
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CBOR_ENC(mapEncoder, map_key.c_str(), map_val);
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cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
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}
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inline void CBOR_ENC(CborEncoder &encoder, const SpotToSave& spot) {
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CborEncoder mapEncoder;
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cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, CborIndefiniteLength));
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CBOR_ENC(mapEncoder, "x", spot.x);
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CBOR_ENC(mapEncoder, "y", spot.y);
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CBOR_ENC(mapEncoder, "I", spot.intensity);
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CBOR_ENC(mapEncoder, "maxc", spot.maxc);
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CBOR_ENC(mapEncoder, "ice_ring", spot.ice_ring);
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CBOR_ENC(mapEncoder, "indexed", spot.indexed);
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CBOR_ENC(mapEncoder, "latt", spot.lattice);
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CBOR_ENC(mapEncoder, "image", spot.image);
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if (spot.indexed) {
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CBOR_ENC(mapEncoder, "h", spot.h);
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CBOR_ENC(mapEncoder, "k", spot.k);
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CBOR_ENC(mapEncoder, "l", spot.l);
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CBOR_ENC(mapEncoder, "dist_ewald", spot.dist_ewald_sphere);
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}
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cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
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}
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inline void CBOR_ENC(CborEncoder &encoder, const char* key, const XrayFluorescenceSpectrum& f) {
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if (f.empty())
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return;
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CborEncoder mapEncoder;
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cborErr(cbor_encode_text_stringz(&encoder, key));
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cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, CborIndefiniteLength));
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CBOR_ENC(mapEncoder, "data", f.GetData());
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CBOR_ENC(mapEncoder, "energy", f.GetEnergy_eV());
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cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
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}
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inline void CBOR_ENC(CborEncoder &encoder, const Reflection& r) {
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CborEncoder mapEncoder;
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cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, CborIndefiniteLength));
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CBOR_ENC(mapEncoder, "h", static_cast<int64_t>(r.h));
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CBOR_ENC(mapEncoder, "k", static_cast<int64_t>(r.k));
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CBOR_ENC(mapEncoder, "l", static_cast<int64_t>(r.l));
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CBOR_ENC(mapEncoder, "phi", r.delta_phi_deg);
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CBOR_ENC(mapEncoder, "x", r.predicted_x);
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CBOR_ENC(mapEncoder, "y", r.predicted_y);
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CBOR_ENC(mapEncoder, "obs_x", r.observed_x);
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CBOR_ENC(mapEncoder, "obs_y", r.observed_y);
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CBOR_ENC(mapEncoder, "d", r.d);
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CBOR_ENC(mapEncoder, "I", r.I);
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CBOR_ENC(mapEncoder, "bkg", r.bkg);
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CBOR_ENC(mapEncoder, "var_bkg", r.var_bkg);
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CBOR_ENC(mapEncoder, "sigma", r.sigma);
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CBOR_ENC(mapEncoder, "image", r.image_number);
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CBOR_ENC(mapEncoder, "rp", r.dist_ewald);
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CBOR_ENC(mapEncoder, "rlp", r.prescaling_corr);
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CBOR_ENC(mapEncoder, "qe", r.qe_corr);
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CBOR_ENC(mapEncoder, "flight", r.flight_corr);
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CBOR_ENC(mapEncoder, "partiality", r.partiality);
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CBOR_ENC(mapEncoder, "zeta", r.zeta);
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CBOR_ENC(mapEncoder, "image_scale_corr", r.image_scale_corr);
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cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
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}
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inline void CBOR_ENC(CborEncoder &encoder, const char* key, const Coord& coord) {
|
|
CborEncoder arrayEncoder;
|
|
cborErr(cbor_encode_text_stringz(&encoder, key));
|
|
cborErr(cbor_encoder_create_array(&encoder, &arrayEncoder, 3));
|
|
cborErr(cbor_encode_float(&arrayEncoder, coord[0]));
|
|
cborErr(cbor_encode_float(&arrayEncoder, coord[1]));
|
|
cborErr(cbor_encode_float(&arrayEncoder, coord[2]));
|
|
cborErr(cbor_encoder_close_container(&encoder, &arrayEncoder));
|
|
}
|
|
|
|
inline void CBOR_ENC(CborEncoder &encoder, const char* key, const std::vector<SpotToSave>& spots) {
|
|
CborEncoder arrayEncoder, mapEncoder;
|
|
|
|
cborErr(cbor_encode_text_stringz(&encoder, key));
|
|
cborErr(cbor_encoder_create_array(&encoder, &arrayEncoder, spots.size()));
|
|
|
|
for (auto spot : spots)
|
|
CBOR_ENC(arrayEncoder, spot);
|
|
|
|
cborErr(cbor_encoder_close_container(&encoder, &arrayEncoder));
|
|
}
|
|
|
|
inline void CBOR_ENC(CborEncoder &encoder, const char* key, const std::vector<Reflection>& refs) {
|
|
CborEncoder arrayEncoder, mapEncoder;
|
|
|
|
cborErr(cbor_encode_text_stringz(&encoder, key));
|
|
cborErr(cbor_encoder_create_array(&encoder, &arrayEncoder, refs.size()));
|
|
|
|
for (auto r: refs)
|
|
CBOR_ENC(arrayEncoder, r);
|
|
|
|
cborErr(cbor_encoder_close_container(&encoder, &arrayEncoder));
|
|
}
|
|
|
|
inline void CBOR_ENC(CborEncoder &encoder, const char* key, const CompressedImage& message) {
|
|
CborEncoder mapEncoder;
|
|
|
|
cborErr(cbor_encode_text_stringz(&encoder, key));
|
|
cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, 1));
|
|
CBOR_ENC_2D_TYPED_ARRAY(mapEncoder, message);
|
|
cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
|
|
}
|
|
|
|
inline void CBOR_ENC_AXIS(CborEncoder &encoder, const char* key, const float det_translation[3]) {
|
|
CborEncoder arrayEncoder;
|
|
|
|
cborErr(cbor_encode_text_stringz(&encoder, key));
|
|
cborErr(cbor_encoder_create_array(&encoder, &arrayEncoder, 3));
|
|
for (int i = 0; i < 3; i++)
|
|
cborErr(cbor_encode_float(&arrayEncoder, det_translation[i]));
|
|
cborErr(cbor_encoder_close_container(&encoder, &arrayEncoder));
|
|
}
|
|
|
|
inline void CBOR_ENC_GONIOMETER(CborEncoder &encoder, const GoniometerAxis &g) {
|
|
CborEncoder mapEncoder;
|
|
|
|
cborErr(cbor_encode_text_stringz(&encoder, g.GetName().c_str()));
|
|
cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, CborIndefiniteLength));
|
|
CBOR_ENC(mapEncoder, "increment", g.GetIncrement_deg());
|
|
CBOR_ENC(mapEncoder, "start", g.GetStart_deg());
|
|
CBOR_ENC(mapEncoder, "axis", g.GetAxis());
|
|
CBOR_ENC(mapEncoder, "screening_wedge", g.GetScreeningWedge());
|
|
if (g.GetHelicalStep().has_value())
|
|
CBOR_ENC(mapEncoder, "helical_step", g.GetHelicalStep().value());
|
|
cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
|
|
}
|
|
|
|
inline void CBOR_ENC_GRID_SCAN(CborEncoder &encoder, const char* key, const GridScanSettings &g) {
|
|
CborEncoder mapEncoder;
|
|
cborErr(cbor_encode_text_stringz(&encoder, key));
|
|
cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, 6));
|
|
CBOR_ENC(mapEncoder, "n_fast", g.GetNFast());
|
|
CBOR_ENC(mapEncoder, "n_slow", g.GetNSlow());
|
|
CBOR_ENC(mapEncoder, "step_x_axis", g.GetGridStepX_um() * 1e-6f);
|
|
CBOR_ENC(mapEncoder, "step_y_axis", g.GetGridStepY_um() * 1e-6f);
|
|
CBOR_ENC(mapEncoder, "snake_scan", g.IsSnakeScan());
|
|
CBOR_ENC(mapEncoder, "vertical_scan", g.IsVerticalScan());
|
|
cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
|
|
}
|
|
|
|
inline void CBOR_ENC_TRANSFORMATIONS(CborEncoder &encoder, const char* key,
|
|
const std::vector<DetectorTransformation> &chain) {
|
|
if (chain.empty())
|
|
return;
|
|
|
|
CborEncoder arrayEncoder, mapEncoder;
|
|
cborErr(cbor_encode_text_stringz(&encoder, key));
|
|
// An ARRAY, not a map: the chain is ordered, base first, and a CBOR map carries no order a
|
|
// consumer may rely on - RFC 8949 has deterministic encoders sort map keys.
|
|
cborErr(cbor_encoder_create_array(&encoder, &arrayEncoder, chain.size()));
|
|
for (const auto &axis: chain) {
|
|
cborErr(cbor_encoder_create_map(&arrayEncoder, &mapEncoder, CborIndefiniteLength));
|
|
CBOR_ENC(mapEncoder, "name", axis.GetName());
|
|
CBOR_ENC(mapEncoder, "transformation_type", axis.IsRotation() ? "rotation" : "translation");
|
|
CBOR_ENC(mapEncoder, "units", axis.GetUnits());
|
|
CBOR_ENC(mapEncoder, "vector", axis.GetVector());
|
|
CBOR_ENC(mapEncoder, "offset", axis.GetOffset());
|
|
CBOR_ENC(mapEncoder, "depends_on", axis.GetDependsOn());
|
|
if (!axis.GetEquipment().empty())
|
|
CBOR_ENC(mapEncoder, "equipment", axis.GetEquipment());
|
|
if (!axis.GetEquipmentComponent().empty())
|
|
CBOR_ENC(mapEncoder, "equipment_component", axis.GetEquipmentComponent());
|
|
CBOR_ENC(mapEncoder, "values", axis.GetValues());
|
|
cborErr(cbor_encoder_close_container(&arrayEncoder, &mapEncoder));
|
|
}
|
|
cborErr(cbor_encoder_close_container(&encoder, &arrayEncoder));
|
|
}
|
|
|
|
inline void CBOR_ENC_GONIOMETER_MAP(CborEncoder &encoder, const char* key, const StartMessage &msg) {
|
|
CborEncoder mapEncoder;
|
|
|
|
if (msg.goniometer) {
|
|
cborErr(cbor_encode_text_stringz(&encoder, key));
|
|
cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, 1));
|
|
CBOR_ENC_GONIOMETER(mapEncoder, msg.goniometer.value());
|
|
cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
|
|
}
|
|
}
|
|
|
|
inline void CBOR_ENC(CborEncoder &encoder, const char* key, const std::vector<std::string> &v) {
|
|
CborEncoder arrayEncoder;
|
|
|
|
cborErr(cbor_encode_text_stringz(&encoder, key));
|
|
cborErr(cbor_encoder_create_array(&encoder, &arrayEncoder, v.size()));
|
|
for (const auto &i: v)
|
|
cborErr(cbor_encode_text_stringz(&arrayEncoder, i.c_str()));
|
|
cborErr(cbor_encoder_close_container(&encoder, &arrayEncoder));
|
|
}
|
|
|
|
inline void CBOR_ENC(CborEncoder &encoder, const char* key, const ROIMessage &val) {
|
|
CborEncoder mapEncoder;
|
|
|
|
cborErr(cbor_encode_text_stringz(&encoder, key));
|
|
cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, 6));
|
|
CBOR_ENC(mapEncoder, "sum", val.sum);
|
|
CBOR_ENC(mapEncoder, "sum_square", val.sum_square);
|
|
CBOR_ENC(mapEncoder, "max_count", val.max_count);
|
|
CBOR_ENC(mapEncoder, "pixels", val.pixels);
|
|
CBOR_ENC(mapEncoder, "x_weighted_sum", val.x_weighted);
|
|
CBOR_ENC(mapEncoder, "y_weighted_sum", val.y_weighted);
|
|
cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
|
|
}
|
|
|
|
inline void CBOR_ENC(CborEncoder &encoder, const char* key, const std::map<std::string, ROIMessage> &map) {
|
|
CborEncoder mapEncoder;
|
|
|
|
if (map.empty())
|
|
return;
|
|
|
|
cborErr(cbor_encode_text_stringz(&encoder, key));
|
|
cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, map.size()));
|
|
for (const auto &[x, y]: map)
|
|
CBOR_ENC(mapEncoder, x.c_str(), y);
|
|
cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
|
|
}
|
|
|
|
inline void CBOR_ENC_PIXEL_MASK(CborEncoder &encoder, const StartMessage &msg) {
|
|
if (msg.pixel_mask.empty())
|
|
return;
|
|
|
|
CborEncoder mapEncoder;
|
|
|
|
cborErr(cbor_encode_text_stringz(&encoder, "pixel_mask"));
|
|
cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, msg.pixel_mask.size()));
|
|
for (const auto &[key, value]: msg.pixel_mask) {
|
|
if (value.size() != msg.image_size_x * msg.image_size_y)
|
|
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
|
|
"Mismatch in size of pixel mask");
|
|
|
|
JFJochBitShuffleCompressor compressor(CompressionAlgorithm::BSHUF_LZ4);
|
|
auto mask_compressed = compressor.Compress(value);
|
|
CompressedImage image(mask_compressed.data(), mask_compressed.size(),
|
|
msg.image_size_x, msg.image_size_y,
|
|
CompressedImageMode::Uint32,
|
|
CompressionAlgorithm::BSHUF_LZ4,
|
|
key);
|
|
CBOR_ENC_2D_TYPED_ARRAY(mapEncoder, image);
|
|
}
|
|
cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
|
|
}
|
|
|
|
inline void CBOR_ENC_AZINT_MAP(CborEncoder &encoder, const StartMessage &msg) {
|
|
if (msg.az_int_map.empty())
|
|
return;
|
|
|
|
if (msg.az_int_map.size() != msg.image_size_x * msg.image_size_y)
|
|
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
|
|
"Mismatch in size of pixel mask");
|
|
|
|
JFJochBitShuffleCompressor compressor(CompressionAlgorithm::BSHUF_LZ4);
|
|
auto mask_compressed = compressor.Compress(msg.az_int_map);
|
|
CompressedImage image(mask_compressed.data(), mask_compressed.size(),
|
|
msg.image_size_x, msg.image_size_y,
|
|
CompressedImageMode::Uint16,
|
|
CompressionAlgorithm::BSHUF_LZ4, "az_int_map");
|
|
CBOR_ENC_2D_TYPED_ARRAY(encoder, image);
|
|
}
|
|
|
|
inline void CBOR_ENC_ROI_MAP(CborEncoder &encoder, const StartMessage &msg) {
|
|
if (msg.roi_map.empty())
|
|
return;
|
|
|
|
if (msg.roi_map.size() != msg.image_size_x * msg.image_size_y)
|
|
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
|
|
"Mismatch in size of ROI map");
|
|
|
|
JFJochBitShuffleCompressor compressor(CompressionAlgorithm::BSHUF_LZ4);
|
|
auto mask_compressed = compressor.Compress(msg.roi_map);
|
|
CompressedImage image(mask_compressed.data(), mask_compressed.size(),
|
|
msg.image_size_x, msg.image_size_y,
|
|
CompressedImageMode::Uint16,
|
|
CompressionAlgorithm::BSHUF_LZ4, "roi_map");
|
|
CBOR_ENC_2D_TYPED_ARRAY(encoder, image);
|
|
}
|
|
|
|
inline void CBOR_ENC(CborEncoder &encoder, const char* key, const UnitCell &val) {
|
|
CborEncoder mapEncoder;
|
|
|
|
cborErr(cbor_encode_text_stringz(&encoder, key));
|
|
cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, 6));
|
|
CBOR_ENC(mapEncoder, "a", val.a);
|
|
CBOR_ENC(mapEncoder, "b", val.b);
|
|
CBOR_ENC(mapEncoder, "c", val.c);
|
|
CBOR_ENC(mapEncoder, "alpha", val.alpha);
|
|
CBOR_ENC(mapEncoder, "beta", val.beta);
|
|
CBOR_ENC(mapEncoder, "gamma", val.gamma);
|
|
cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
|
|
}
|
|
|
|
// Add encoder for LatticeMessage
|
|
inline void CBOR_ENC(CborEncoder &encoder, const char* key, const LatticeMessage &val) {
|
|
CborEncoder mapEncoder;
|
|
cborErr(cbor_encode_text_stringz(&encoder, key));
|
|
cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, 3));
|
|
CBOR_ENC(mapEncoder, "centering", std::string(1, val.centering));
|
|
CBOR_ENC(mapEncoder, "niggli_class", val.niggli_class);
|
|
const char* cs_name = "triclinic";
|
|
switch (val.crystal_system) {
|
|
case gemmi::CrystalSystem::Triclinic: cs_name = "triclinic"; break;
|
|
case gemmi::CrystalSystem::Monoclinic: cs_name = "monoclinic"; break;
|
|
case gemmi::CrystalSystem::Orthorhombic:cs_name = "orthorhombic";break;
|
|
case gemmi::CrystalSystem::Tetragonal: cs_name = "tetragonal"; break;
|
|
case gemmi::CrystalSystem::Trigonal: cs_name = "trigonal"; break;
|
|
case gemmi::CrystalSystem::Hexagonal: cs_name = "hexagonal"; break;
|
|
case gemmi::CrystalSystem::Cubic: cs_name = "cubic"; break;
|
|
}
|
|
CBOR_ENC(mapEncoder, "system", std::string(cs_name));
|
|
cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
|
|
}
|
|
|
|
inline nlohmann::json CBOR_ENC_ROI_CONFIG(const std::vector<ROIConfig> &roi) {
|
|
nlohmann::json j;
|
|
for (const auto &r: roi) {
|
|
nlohmann::json jr;
|
|
jr["name"] = r.name;
|
|
switch (r.type) {
|
|
case ROIConfig::ROIType::Box:
|
|
jr["type"] = "box";
|
|
jr["xmin"] = r.box.xmin;
|
|
jr["xmax"] = r.box.xmax;
|
|
jr["ymin"] = r.box.ymin;
|
|
jr["ymax"] = r.box.ymax;
|
|
break;
|
|
case ROIConfig::ROIType::Circle:
|
|
jr["type"] = "circle";
|
|
jr["r"] = r.circle.r;
|
|
jr["x"] = r.circle.x;
|
|
jr["y"] = r.circle.y;
|
|
break;
|
|
case ROIConfig::ROIType::Azim:
|
|
jr["type"] = "azim";
|
|
jr["qmin"] = r.azim.qmin;
|
|
jr["qmax"] = r.azim.qmax;
|
|
// phi_min == phi_max means a full ring; only emit a sector.
|
|
if (r.azim.phi_min != r.azim.phi_max) {
|
|
jr["phi_min"] = r.azim.phi_min;
|
|
jr["phi_max"] = r.azim.phi_max;
|
|
}
|
|
break;
|
|
}
|
|
j.push_back(jr);
|
|
}
|
|
return j;
|
|
}
|
|
|
|
inline void CBOR_ENC_START_USER_DATA(CborEncoder& encoder, const char* key,
|
|
const StartMessage& message) {
|
|
nlohmann::json j;
|
|
j["file_prefix"] = message.file_prefix;
|
|
j["images_per_file"] = message.images_per_file;
|
|
j["source_name"] = message.source_name;
|
|
if (!message.source_type.empty())
|
|
j["source_type"] = message.source_type;
|
|
j["instrument_name"] = message.instrument_name;
|
|
j["sample_name"] = message.sample_name;
|
|
if (!message.user_data.empty())
|
|
j["user"] = message.user_data;
|
|
if (message.attenuator_transmission)
|
|
j["attenuator_transmission"] = message.attenuator_transmission.value();
|
|
if (message.total_flux)
|
|
j["total_flux"] = message.total_flux.value();
|
|
if (message.space_group_number)
|
|
j["space_group_number"] = message.space_group_number.value();
|
|
|
|
j["roi"] = CBOR_ENC_ROI_CONFIG(message.rois);
|
|
|
|
j["gain_file_names"] = message.gain_file_names;
|
|
if (message.write_master_file)
|
|
j["write_master_file"] = message.write_master_file.value();
|
|
if (message.write_images)
|
|
j["write_images"] = message.write_images.value();
|
|
if (message.data_reduction_factor_serialmx)
|
|
j["data_reduction_factor_serialmx"] = message.data_reduction_factor_serialmx.value();
|
|
j["experiment_group"] = message.experiment_group;
|
|
j["jfjoch_release"] = message.jfjoch_release;
|
|
if (message.socket_number)
|
|
j["socket_number"] = message.socket_number.value();
|
|
if (message.bit_depth_readout)
|
|
j["bit_depth_readout"] = message.bit_depth_readout.value();
|
|
if (message.underload_value)
|
|
j["underload_value"] = message.underload_value.value();
|
|
if (!message.writer_notification_zmq_addr.empty())
|
|
j["writer_notification_zmq_addr"] = message.writer_notification_zmq_addr;
|
|
if (message.summation_mode.has_value())
|
|
j["summation_mode"] = message.summation_mode.value();
|
|
if (message.overwrite.has_value())
|
|
j["overwrite"] = message.overwrite.value();
|
|
if (message.xfel_pulse_id.has_value())
|
|
j["xfel_pulse_id"] = message.xfel_pulse_id.value();
|
|
if (message.ring_current_mA.has_value())
|
|
j["ring_current_mA"] = message.ring_current_mA.value();
|
|
if (message.sample_temperature_K.has_value())
|
|
j["sample_temperature_K"] = message.sample_temperature_K.value();
|
|
if (message.file_format.has_value())
|
|
j["file_format"] = static_cast<int>(message.file_format.value());
|
|
|
|
if (message.images_per_trigger.has_value())
|
|
j["images_per_trigger"] = message.images_per_trigger.value();
|
|
|
|
if (message.poni_rot1.has_value())
|
|
j["poni_rot1"] = message.poni_rot1.value();
|
|
if (message.poni_rot2.has_value())
|
|
j["poni_rot2"] = message.poni_rot2.value();
|
|
if (message.poni_rot3.has_value())
|
|
j["poni_rot3"] = message.poni_rot3.value();
|
|
|
|
if (message.detect_ice_rings.has_value())
|
|
j["detect_ice_rings"] = message.detect_ice_rings.value();
|
|
|
|
switch(message.indexing_algorithm) {
|
|
case IndexingAlgorithmEnum::FFBIDX:
|
|
j["indexing_algorithm"] = "ffbidx";
|
|
break;
|
|
case IndexingAlgorithmEnum::FFT:
|
|
j["indexing_algorithm"] = "fft";
|
|
break;
|
|
case IndexingAlgorithmEnum::FFTW:
|
|
j["indexing_algorithm"] = "fftw";
|
|
break;
|
|
default:
|
|
j["indexing_algorithm"] = "none";
|
|
break;
|
|
}
|
|
|
|
switch (message.geom_refinement_algorithm) {
|
|
case GeomRefinementAlgorithmEnum::BeamCenter:
|
|
j["geom_refinement_algorithm"] = "beam_center";
|
|
break;
|
|
default:
|
|
j["geom_refinement_algorithm"] = "none";
|
|
break;
|
|
}
|
|
|
|
if (message.smargon_position.has_value()) {
|
|
j["smargon"]["chi_deg"] = message.smargon_position->chi_deg;
|
|
j["smargon"]["phi_deg"] = message.smargon_position->phi_deg;
|
|
j["smargon"]["chi_axis"] = {message.smargon_position->chi_axis.x,
|
|
message.smargon_position->chi_axis.y,
|
|
message.smargon_position->chi_axis.z};
|
|
j["smargon"]["phi_axis"] = {message.smargon_position->phi_axis.x,
|
|
message.smargon_position->phi_axis.y,
|
|
message.smargon_position->phi_axis.z};
|
|
}
|
|
|
|
auto str = j.dump();
|
|
|
|
CBOR_ENC(encoder, key, str);
|
|
}
|
|
|
|
CBORStream2Serializer::CBORStream2Serializer(uint8_t *in_buffer, size_t buffer_size) :
|
|
buffer(in_buffer), max_buffer_size(buffer_size), curr_size(0) {}
|
|
|
|
size_t CBORStream2Serializer::GetBufferSize() const {
|
|
return curr_size;
|
|
}
|
|
|
|
void CBORStream2Serializer::SerializeSequenceStart(const StartMessage& message) {
|
|
CborEncoder encoder, mapEncoder;
|
|
|
|
cbor_encoder_init(&encoder, buffer, max_buffer_size, 0);
|
|
cborErr(cbor_encode_tag(&encoder, CborSignatureTag ));
|
|
|
|
cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, CborIndefiniteLength));
|
|
|
|
CBOR_ENC(mapEncoder, "type", "start");
|
|
CBOR_ENC(mapEncoder, "magic_number", user_data_magic_number);
|
|
|
|
CBOR_ENC(mapEncoder, "detector_distance", message.detector_distance);
|
|
CBOR_ENC_AXIS(mapEncoder, "detector_translation", message.detector_translation);
|
|
CBOR_ENC(mapEncoder, "beam_center_x", message.beam_center_x);
|
|
CBOR_ENC(mapEncoder, "beam_center_y", message.beam_center_y);
|
|
// Not a DECTRIS field, and skipped by a consumer that does not know it. beam_center_x/y above is
|
|
// the PONI, which is not where the beam lands once the detector is tilted; these two are.
|
|
CBOR_ENC(mapEncoder, "direct_beam_x", message.direct_beam_x);
|
|
CBOR_ENC(mapEncoder, "direct_beam_y", message.direct_beam_y);
|
|
CBOR_ENC(mapEncoder, "countrate_correction_enabled", message.countrate_correction_enabled);
|
|
CBOR_ENC(mapEncoder, "flatfield_enabled", message.flatfield_enabled);
|
|
CBOR_ENC(mapEncoder, "number_of_images", message.number_of_images);
|
|
CBOR_ENC(mapEncoder, "image_size_x", message.image_size_x);
|
|
CBOR_ENC(mapEncoder, "image_size_y", message.image_size_y);
|
|
|
|
CBOR_ENC(mapEncoder, "incident_energy", message.incident_energy);
|
|
CBOR_ENC(mapEncoder, "incident_wavelength", message.incident_wavelength);
|
|
CBOR_ENC(mapEncoder, "incident_wavelength_spread", message.incident_wavelength_spread);
|
|
CBOR_ENC(mapEncoder, "beam_size_x", message.beam_size_x);
|
|
CBOR_ENC(mapEncoder, "beam_size_y", message.beam_size_y);
|
|
|
|
CBOR_ENC(mapEncoder, "frame_time", message.frame_time);
|
|
CBOR_ENC(mapEncoder, "count_time", message.count_time);
|
|
|
|
CBOR_ENC(mapEncoder, "saturation_value", message.saturation_value);
|
|
CBOR_ENC(mapEncoder, "error_value", message.error_value);
|
|
CBOR_ENC(mapEncoder, "pixel_size_x", message.pixel_size_x);
|
|
CBOR_ENC(mapEncoder, "pixel_size_y", message.pixel_size_y);
|
|
CBOR_ENC(mapEncoder, "sensor_thickness", message.sensor_thickness);
|
|
CBOR_ENC(mapEncoder, "sensor_material", message.sensor_material);
|
|
CBOR_ENC_DATE(mapEncoder, "arm_date", message.arm_date);
|
|
CBOR_ENC(mapEncoder, "pixel_mask_enabled", message.pixel_mask_enabled);
|
|
CBOR_ENC(mapEncoder, "detector_description", message.detector_description);
|
|
CBOR_ENC(mapEncoder, "detector_serial_number", message.detector_serial_number);
|
|
CBOR_ENC(mapEncoder, "series_unique_id", message.run_name);
|
|
CBOR_ENC(mapEncoder, "series_id", message.run_number);
|
|
CBOR_ENC(mapEncoder, "fluorescence", message.fluorescence_spectrum);
|
|
|
|
if (message.goniometer)
|
|
CBOR_ENC_GONIOMETER_MAP(mapEncoder, "goniometer", message);
|
|
if (message.grid_scan)
|
|
CBOR_ENC_GRID_SCAN(mapEncoder, "grid_scan", message.grid_scan.value());
|
|
|
|
CBOR_ENC(mapEncoder, "jungfrau_conversion_enabled", message.jungfrau_conversion_enabled);
|
|
CBOR_ENC(mapEncoder, "jungfrau_conversion_factor", message.jungfrau_conversion_factor);
|
|
CBOR_ENC(mapEncoder, "geometry_transformation_enabled", message.geometry_transformation_enabled);
|
|
// Not a DECTRIS field - stream2 has nothing for the row direction, so a consumer that does not
|
|
// know this key simply skips it and gets today's behaviour, which is what absence means.
|
|
CBOR_ENC(mapEncoder, "mirror_y", message.mirror_y);
|
|
// Also not a DECTRIS field, and also skipped by a consumer that does not know it - absence means
|
|
// the identity, which is what every stream written before these keys existed carries.
|
|
CBOR_ENC(mapEncoder, "detector_orientation_mirror_y", message.detector_orientation_mirror_y);
|
|
CBOR_ENC(mapEncoder, "detector_orientation_quarter_turns",
|
|
message.detector_orientation_quarter_turns);
|
|
|
|
CBOR_ENC_PIXEL_MASK(mapEncoder, message);
|
|
CBOR_ENC_AZINT_MAP(mapEncoder, message);
|
|
CBOR_ENC_ROI_MAP(mapEncoder, message);
|
|
|
|
CBOR_ENC(mapEncoder, "channels", message.channels);
|
|
CBOR_ENC(mapEncoder, "max_spot_count", message.max_spot_count);
|
|
CBOR_ENC(mapEncoder, "max_extra_lattices", message.max_extra_lattices);
|
|
CBOR_ENC(mapEncoder, "storage_cell_number", message.storage_cell_number);
|
|
CBOR_ENC_RATIONAL(mapEncoder, "storage_cell_delay", message.storage_cell_delay_ns, 1000*1000*1000UL);
|
|
CBOR_ENC(mapEncoder, "threshold_energy", message.threshold_energy);
|
|
|
|
switch (message.bit_depth_image) {
|
|
case 8:
|
|
CBOR_ENC(mapEncoder, "image_dtype", message.pixel_signed ? "int8" : "uint8");
|
|
break;
|
|
case 16:
|
|
CBOR_ENC(mapEncoder, "image_dtype", message.pixel_signed ? "int16" : "uint16");
|
|
break;
|
|
case 32:
|
|
CBOR_ENC(mapEncoder, "image_dtype", message.pixel_signed ? "int32" : "uint32");
|
|
break;
|
|
}
|
|
|
|
CBOR_ENC(mapEncoder, "unit_cell", message.unit_cell);
|
|
CBOR_ENC(mapEncoder, "az_int_q_bin_count", message.az_int_q_bin_count);
|
|
CBOR_ENC(mapEncoder, "az_int_phi_bin_count", message.az_int_phi_bin_count);
|
|
CBOR_ENC(mapEncoder, "az_int_bin_to_q", message.az_int_bin_to_q);
|
|
CBOR_ENC(mapEncoder, "az_int_bin_to_two_theta", message.az_int_bin_to_two_theta);
|
|
if (!message.az_int_bin_to_phi.empty())
|
|
CBOR_ENC(mapEncoder, "az_int_bin_to_phi", message.az_int_bin_to_phi);
|
|
CBOR_ENC(mapEncoder, "summation", message.summation);
|
|
|
|
CBOR_ENC_START_USER_DATA(mapEncoder, "user_data", message);
|
|
cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
|
|
curr_size = cbor_encoder_get_buffer_size(&encoder, buffer);
|
|
}
|
|
|
|
void CBORStream2Serializer::SerializeSequenceEnd(const EndMessage& message) {
|
|
CborEncoder encoder, mapEncoder;
|
|
cbor_encoder_init(&encoder, buffer, max_buffer_size, 0);
|
|
cborErr(cbor_encode_tag(&encoder, CborSignatureTag));
|
|
cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, CborIndefiniteLength));
|
|
|
|
CBOR_ENC(mapEncoder, "type", "end");
|
|
CBOR_ENC(mapEncoder, "magic_number", user_data_magic_number);
|
|
|
|
CBOR_ENC(mapEncoder, "series_unique_id", message.run_name);
|
|
CBOR_ENC(mapEncoder, "series_id", message.run_number);
|
|
CBOR_ENC(mapEncoder, "end_date", message.end_date);
|
|
|
|
CBOR_ENC(mapEncoder, "max_image_number", message.max_image_number);
|
|
// Optional: absent means the writer builds the same chain from the start message itself.
|
|
CBOR_ENC_TRANSFORMATIONS(mapEncoder, "transformations", message.transformations);
|
|
CBOR_ENC(mapEncoder, "images_collected", message.images_collected_count);
|
|
CBOR_ENC(mapEncoder, "images_sent_to_write", message.images_sent_to_write_count);
|
|
CBOR_ENC(mapEncoder, "data_collection_efficiency", message.efficiency);
|
|
CBOR_ENC_RAD_INT_RESULT(mapEncoder, "az_int_result", message.az_int_result);
|
|
CBOR_ENC_ADU_HIST(mapEncoder, "adu_histogram", message.adu_histogram);
|
|
CBOR_ENC(mapEncoder, "adu_histogram_bin_width", message.adu_histogram_bin_width);
|
|
CBOR_ENC(mapEncoder, "max_receiver_delay", message.max_receiver_delay);
|
|
CBOR_ENC(mapEncoder, "indexing_rate", message.indexing_rate);
|
|
CBOR_ENC(mapEncoder, "bkg_estimate", message.bkg_estimate);
|
|
CBOR_ENC(mapEncoder, "spindle_blind_fraction", message.spindle_blind_fraction);
|
|
CBOR_ENC(mapEncoder, "spindle_lost_unique_fraction", message.spindle_lost_unique_fraction);
|
|
|
|
CBOR_ENC(mapEncoder, "rotation_lattice_type", message.rotation_lattice_type);
|
|
if (message.rotation_lattice.has_value())
|
|
CBOR_ENC(mapEncoder, "rotation_lattice", message.rotation_lattice->GetVector());
|
|
if (!message.rotation_extra_lattices.empty()) {
|
|
CborEncoder arrayEncoder;
|
|
cborErr(cbor_encode_text_stringz(&mapEncoder, "rotation_extra_lattices"));
|
|
cborErr(cbor_encoder_create_array(&mapEncoder, &arrayEncoder, message.rotation_extra_lattices.size()));
|
|
for (const auto &el : message.rotation_extra_lattices)
|
|
CBOR_ENC_FLOAT_ARRAY_NOKEY(arrayEncoder, el.GetVector());
|
|
cborErr(cbor_encoder_close_container(&mapEncoder, &arrayEncoder));
|
|
}
|
|
CBOR_ENC(mapEncoder, "data_collection_efficiency_image", message.data_collection_efficiency);
|
|
CBOR_ENC(mapEncoder, "spot_count", message.spot_count);
|
|
CBOR_ENC(mapEncoder, "spot_count_ice_ring", message.spot_count_ice_ring);
|
|
CBOR_ENC(mapEncoder, "spot_count_low_res", message.spot_count_low_res);
|
|
CBOR_ENC(mapEncoder, "spot_count_indexed", message.spot_count_indexed);
|
|
CBOR_ENC(mapEncoder, "image_indexed", message.image_indexed);
|
|
CBOR_ENC(mapEncoder, "v_bkg_estimate", message.v_bkg_estimate);
|
|
CBOR_ENC(mapEncoder, "v_spindle_blind_fraction", message.v_spindle_blind_fraction);
|
|
CBOR_ENC(mapEncoder, "ice_ring_score", message.ice_ring_score);
|
|
CBOR_ENC(mapEncoder, "ice_ring_score_mean", message.ice_ring_score_mean);
|
|
CBOR_ENC(mapEncoder, "spot_count_ice_control", message.spot_count_ice_control);
|
|
CBOR_ENC(mapEncoder, "profile_radius", message.profile_radius);
|
|
CBOR_ENC(mapEncoder, "mosaicity", message.mosaicity);
|
|
CBOR_ENC(mapEncoder, "bFactor", message.bFactor);
|
|
CBOR_ENC(mapEncoder, "resolution_estimate", message.resolution_estimate);
|
|
CBOR_ENC(mapEncoder, "min_viable_pixel_value", message.min_viable_pixel_value);
|
|
CBOR_ENC(mapEncoder, "max_viable_pixel_value", message.max_viable_pixel_value);
|
|
CBOR_ENC(mapEncoder, "saturated_pixel_count", message.saturated_pixel_count);
|
|
CBOR_ENC(mapEncoder, "error_pixel_count", message.error_pixel_count);
|
|
CBOR_ENC(mapEncoder, "indexed_lattice_count", message.indexed_lattice_count);
|
|
CBOR_ENC(mapEncoder, "image_scale_factor", message.image_scale_factor);
|
|
CBOR_ENC(mapEncoder, "image_scale_cc", message.image_scale_cc);
|
|
CBOR_ENC(mapEncoder, "image_scale_mosaicity", message.image_scale_mosaicity);
|
|
CBOR_ENC(mapEncoder, "integrated_reflections", message.integrated_reflections);
|
|
CBOR_ENC(mapEncoder, "niggli_class", message.niggli_class);
|
|
CBOR_ENC(mapEncoder, "pixel_sum", message.pixel_sum);
|
|
CBOR_ENC(mapEncoder, "unit_cell", message.unit_cell);
|
|
// Both spellings of the determined group. The name carries the setting and is what a reader
|
|
// should take; the number is beside it for a reader written before the name existed.
|
|
CBOR_ENC(mapEncoder, "space_group_name", message.space_group_name);
|
|
CBOR_ENC(mapEncoder, "space_group_number", message.space_group_number);
|
|
|
|
cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
|
|
|
|
curr_size = cbor_encoder_get_buffer_size(&encoder, buffer);
|
|
}
|
|
|
|
void CBORStream2Serializer::SerializeImageInternal(CborEncoder &mapEncoder, const DataMessage &message, bool metadata_only) {
|
|
CBOR_ENC(mapEncoder, "image_id", message.number);
|
|
|
|
CBOR_ENC(mapEncoder, "original_image_id", message.original_number);
|
|
|
|
CBOR_ENC_RATIONAL(mapEncoder, "real_time", message.exptime, message.exptime_base);
|
|
CBOR_ENC_RATIONAL(mapEncoder, "start_time", message.timestamp, message.timestamp_base);
|
|
CBOR_ENC_RATIONAL(mapEncoder, "end_time", message.timestamp + message.exptime, message.timestamp_base);
|
|
|
|
CBOR_ENC(mapEncoder, "spot_count", message.spot_count);
|
|
CBOR_ENC(mapEncoder, "spot_count_ice_rings", message.spot_count_ice_rings);
|
|
CBOR_ENC(mapEncoder, "spot_count_ice_control", message.spot_count_ice_control);
|
|
CBOR_ENC(mapEncoder, "spot_count_low_res", message.spot_count_low_res);
|
|
CBOR_ENC(mapEncoder, "spot_count_indexed", message.spot_count_indexed);
|
|
CBOR_ENC(mapEncoder, "az_int_profile", message.az_int_profile);
|
|
if (!message.az_int_profile_std.empty())
|
|
CBOR_ENC(mapEncoder, "az_int_profile_std", message.az_int_profile_std);
|
|
CBOR_ENC(mapEncoder, "az_int_profile_count", message.az_int_profile_count);
|
|
|
|
CBOR_ENC(mapEncoder, "indexing_result", message.indexing_result);
|
|
CBOR_ENC(mapEncoder, "indexing_lattice_count", message.indexing_lattice_count);
|
|
if (message.indexing_lattice)
|
|
CBOR_ENC(mapEncoder, "indexing_lattice", message.indexing_lattice->GetVector());
|
|
if (!message.indexing_extra_lattices.empty()) {
|
|
CborEncoder arrayEncoder;
|
|
cborErr(cbor_encode_text_stringz(&mapEncoder, "indexing_extra_lattices"));
|
|
cborErr(cbor_encoder_create_array(&mapEncoder, &arrayEncoder, message.indexing_extra_lattices.size()));
|
|
for (const auto &el : message.indexing_extra_lattices)
|
|
CBOR_ENC_FLOAT_ARRAY_NOKEY(arrayEncoder, el.GetVector());
|
|
cborErr(cbor_encoder_close_container(&mapEncoder, &arrayEncoder));
|
|
}
|
|
CBOR_ENC(mapEncoder, "profile_radius", message.profile_radius);
|
|
CBOR_ENC(mapEncoder, "mosaicity", message.mosaicity_deg);
|
|
CBOR_ENC(mapEncoder, "integrated_reflections", message.integrated_reflections);
|
|
CBOR_ENC(mapEncoder, "b_factor", message.b_factor);
|
|
CBOR_ENC(mapEncoder, "indexing_time", message.indexing_time_s);
|
|
CBOR_ENC(mapEncoder, "processing_time", message.processing_time_s);
|
|
CBOR_ENC(mapEncoder, "azint_time", message.azint_time_s);
|
|
CBOR_ENC(mapEncoder, "spot_finding_time", message.spot_finding_time_s);
|
|
CBOR_ENC(mapEncoder, "bragg_prediction_time", message.bragg_prediction_time_s);
|
|
CBOR_ENC(mapEncoder, "integration_time", message.integration_time_s);
|
|
CBOR_ENC(mapEncoder, "refinement_time", message.refinement_time_s);
|
|
CBOR_ENC(mapEncoder, "preprocessing_time", message.preprocessing_time_s);
|
|
CBOR_ENC(mapEncoder, "compression_time", message.compression_time_s);
|
|
CBOR_ENC(mapEncoder, "image_scale_time", message.image_scale_time_s);
|
|
CBOR_ENC(mapEncoder, "index_analysis_time", message.index_analysis_time_s);
|
|
CBOR_ENC(mapEncoder, "indexing_unit_cell", message.indexing_unit_cell);
|
|
CBOR_ENC(mapEncoder, "xfel_pulse_id", message.xfel_pulse_id);
|
|
CBOR_ENC(mapEncoder, "xfel_event_code", message.xfel_event_code);
|
|
if (message.lattice_type)
|
|
CBOR_ENC(mapEncoder, "lattice_type", message.lattice_type.value());
|
|
CBOR_ENC(mapEncoder, "jf_info", message.jf_info);
|
|
CBOR_ENC(mapEncoder, "receiver_aq_dev_delay", message.receiver_aq_dev_delay);
|
|
CBOR_ENC(mapEncoder, "receiver_free_send_buf", message.receiver_buf_available);
|
|
CBOR_ENC(mapEncoder, "receiver_buf_in_sending", message.receiver_buf_in_sending);
|
|
CBOR_ENC(mapEncoder, "receiver_buf_in_preparation", message.receiver_buf_in_preparation);
|
|
CBOR_ENC(mapEncoder, "storage_cell", message.storage_cell);
|
|
CBOR_ENC(mapEncoder, "saturated_pixel_count", message.saturated_pixel_count);
|
|
CBOR_ENC(mapEncoder, "pixel_sum", message.pixel_sum);
|
|
CBOR_ENC(mapEncoder, "error_pixel_count", message.error_pixel_count);
|
|
CBOR_ENC(mapEncoder, "strong_pixel_count", message.strong_pixel_count);
|
|
CBOR_ENC(mapEncoder, "min_viable_pixel_value", message.min_viable_pixel_value);
|
|
CBOR_ENC(mapEncoder, "max_viable_pixel_value", message.max_viable_pixel_value);
|
|
CBOR_ENC(mapEncoder, "resolution_estimate", message.resolution_estimate);
|
|
CBOR_ENC(mapEncoder, "data_collection_efficiency", message.image_collection_efficiency);
|
|
CBOR_ENC(mapEncoder, "packets_expected", message.packets_expected);
|
|
CBOR_ENC(mapEncoder, "packets_received", message.packets_received);
|
|
CBOR_ENC(mapEncoder, "bkg_estimate", message.bkg_estimate);
|
|
CBOR_ENC(mapEncoder, "ice_ring_score", message.ice_ring_score);
|
|
CBOR_ENC(mapEncoder, "spindle_blind_fraction", message.spindle_blind_fraction);
|
|
CBOR_ENC(mapEncoder, "adu_histogram", message.adu_histogram);
|
|
CBOR_ENC(mapEncoder, "roi_integrals", message.roi);
|
|
CBOR_ENC(mapEncoder, "beam_corr_x", message.beam_corr_x);
|
|
CBOR_ENC(mapEncoder, "beam_corr_y", message.beam_corr_y);
|
|
CBOR_ENC(mapEncoder, "image_scale_factor", message.image_scale_factor);
|
|
CBOR_ENC(mapEncoder, "image_scale_mosaicity", message.image_scale_mosaicity);
|
|
CBOR_ENC(mapEncoder, "image_scale_cc", message.image_scale_cc);
|
|
CBOR_ENC(mapEncoder, "user_data", message.user_data.dump());
|
|
|
|
if (!metadata_only) {
|
|
CBOR_ENC(mapEncoder, "spots", message.spots);
|
|
CBOR_ENC(mapEncoder, "reflections", message.reflections);
|
|
CBOR_ENC(mapEncoder, "data", message.image);
|
|
}
|
|
}
|
|
|
|
void CBORStream2Serializer::SerializeImage(const DataMessage& message) {
|
|
CborEncoder encoder, mapEncoder;
|
|
cbor_encoder_init(&encoder, buffer, max_buffer_size, 0);
|
|
|
|
cborErr(cbor_encode_tag(&encoder, CborSignatureTag ));
|
|
cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, CborIndefiniteLength));
|
|
|
|
CBOR_ENC(mapEncoder, "type", "image");
|
|
CBOR_ENC(mapEncoder, "magic_number", user_data_magic_number);
|
|
CBOR_ENC(mapEncoder, "series_unique_id", message.run_name);
|
|
CBOR_ENC(mapEncoder, "series_id", message.run_number);
|
|
|
|
SerializeImageInternal(mapEncoder, message, false);
|
|
cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
|
|
|
|
curr_size = cbor_encoder_get_buffer_size(&encoder, buffer);
|
|
}
|
|
|
|
void CBORStream2Serializer::SerializeMetadata(const MetadataMessage &messages) {
|
|
if (messages.images.empty())
|
|
throw JFJochException(JFJochExceptionCategory::CBORError,
|
|
"Cannot serialize empty metadata packet");
|
|
CborEncoder encoder, mapEncoder, arrayEncoder;
|
|
cbor_encoder_init(&encoder, buffer, max_buffer_size, 0);
|
|
|
|
cborErr(cbor_encode_tag(&encoder, CborSignatureTag ));
|
|
cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, CborIndefiniteLength));
|
|
CBOR_ENC(mapEncoder, "type", "metadata");
|
|
CBOR_ENC(mapEncoder, "magic_number", user_data_magic_number);
|
|
CBOR_ENC(mapEncoder, "series_unique_id", messages.run_name);
|
|
CBOR_ENC(mapEncoder, "series_id", messages.run_number);
|
|
cborErr(cbor_encode_text_stringz(&mapEncoder, "images"));
|
|
cborErr(cbor_encoder_create_array(&mapEncoder, &arrayEncoder, messages.images.size()));
|
|
|
|
for (const auto &image: messages.images) {
|
|
CborEncoder localEncoder;
|
|
|
|
cborErr(cbor_encoder_create_map(&arrayEncoder, &localEncoder, CborIndefiniteLength));
|
|
|
|
SerializeImageInternal(localEncoder, image, true);
|
|
cborErr(cbor_encoder_close_container(&arrayEncoder, &localEncoder));
|
|
}
|
|
|
|
cborErr(cbor_encoder_close_container(&mapEncoder, &arrayEncoder));
|
|
cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
|
|
curr_size = cbor_encoder_get_buffer_size(&encoder, buffer);
|
|
}
|
|
|
|
void CBORStream2Serializer::SerializeCalibration(const CompressedImage &image) {
|
|
CborEncoder encoder, mapEncoder;
|
|
cbor_encoder_init(&encoder, buffer, max_buffer_size, 0);
|
|
|
|
cborErr(cbor_encode_tag(&encoder, CborSignatureTag ));
|
|
cborErr(cbor_encoder_create_map(&encoder, &mapEncoder, CborIndefiniteLength));
|
|
CBOR_ENC(mapEncoder, "type", "calibration");
|
|
CBOR_ENC(mapEncoder, "magic_number", user_data_magic_number);
|
|
CBOR_ENC(mapEncoder, "data", image);
|
|
cborErr(cbor_encoder_close_container(&encoder, &mapEncoder));
|
|
|
|
curr_size = cbor_encoder_get_buffer_size(&encoder, buffer);
|
|
}
|
|
|
|
size_t CBORStream2Serializer::GetImageAppendOffset() const {
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return curr_size + sizeof(size_t) - 1;
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}
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void CBORStream2Serializer::AppendImage(size_t image_size) {
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if (curr_size + image_size + sizeof(size_t) + 1 >= max_buffer_size)
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throw JFJochException(JFJochExceptionCategory::CBORError, "No space to extend the image");
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buffer[curr_size - 2] = 0x40 + 27;
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curr_size--;
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// CBOR encodes the byte-string length as a big-endian 64-bit integer (major
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// type 2, additional info 27). Write it big-endian byte-by-byte so the result
|
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// is correct on any host endianness and needs no compiler-specific byte-swap
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// intrinsic (__builtin_bswap64 is GCC/Clang-only; MSVC lacks it).
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const uint64_t image_size_be = image_size;
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for (size_t k = 0; k < sizeof(uint64_t); ++k)
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buffer[curr_size + k] = static_cast<uint8_t>(image_size_be >> (8 * (sizeof(uint64_t) - 1 - k)));
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curr_size += sizeof(size_t);
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curr_size += image_size + 0;
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buffer[curr_size] = 0xFF;
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|
curr_size++;
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}
|