Files
Jungfraujoch/frame_serialize/CBORStream2Deserializer.cpp
T
leonarski_fandClaude Opus 5.5 5f731db81d rugnux: the library returns its outputs in memory; the callers write the files
The rugnux library wrote its results itself: _process.h5 through a
FileWriter, the merged/twin/_mr reflection files, the unmerged MTZs, the
maps and their MTZ, the placed models, _detector.jpg and _plot.txt, and
on a doubled cell it renamed files on disk. It now writes none of them.

- MtzTable (common/MtzTable.h): an MTZ file's header, columns and batch
  headers with no file behind it. It replaces MergedReflectionsMessage
  and MapCoefficientsMessage in the END message, with one CBOR encoding.
  WriteMtz (writer/WriteRugnuxFiles.h) is the one serialiser, used by
  rugnux and jfjoch_writer alike; it refuses a table whose columns differ
  in length, name a missing dataset, carry a malformed batch header or
  name a space group gemmi does not know. MergedMtzTable and
  UnmergedMtzTable build the tables the old writers built.
- ProcessResult::outputs (RugnuxOutputs) holds, for the output pass only:
  the answer's merge (MTZ table plus what the .cif/.hkl are written from),
  the twin hypothesis' and the model's choice's merges, the unmerged and
  unmerged-partials tables, the maps (coefficients always; the grids only
  with ProcessConfig::keep_map_grids), the placed models, the detector
  JPEG and the per-image plot table, and the start message of the
  no-lattice _process.h5. Map RMS is taken from the grid in memory, as the
  CCP4 header stated it, whether or not the map is kept.
- The per-image analysis goes to a caller-supplied RugnuxImageSink;
  rugnux and the viewer give a FileWriter-based ProcessFileSink. The
  geometry pre-pass no longer makes a _01_process.h5.
- The doubled cell keeps both output sets: the answer's in outputs, the
  other's in DoubledCell::other_outputs with its suffix; the report names
  files by suffix after the caller's prefix.
- The output prefix, write_process_h5 and the observation dump path are
  gone from ProcessConfig; --dump-observations is a callback.
- What used to be gated on having files to write (model validation and
  MR, the twin-hypothesis merges, the finalist ledger, the scaled fulls,
  the unmerged tables) is gated on the output pass instead, so a caller
  with no prefix gets the same results.
- RugnuxOutputFiles (new library JFJochRugnuxOutput, linked by rugnux,
  the viewer and the tests) writes every file from the result with the
  names and formats rugnux has always used. The viewer writes its job's
  files the same way.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
2026-10-17 16:51:20 +02:00

1816 lines
80 KiB
C++

// SPDX-FileCopyrightText: 2024 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include "CBORStream2Deserializer.h"
#include "CborErr.h"
#include "CborUtil.h"
#include "../compression/JFJochDecompress.h"
#include <nlohmann/json.hpp>
namespace {
std::string GetCBORString(CborValue &value) {
if (!cbor_value_is_text_string(&value))
throw JFJochException(JFJochExceptionCategory::CBORError, "String expected");
std::vector<char> s(16384);
size_t len = s.size() - 1;
cborErr(cbor_value_copy_text_string(&value, s.data(), &len, nullptr));
s[len] = 0;
cborErr(cbor_value_advance(&value));
return {s.data()};
}
int64_t GetCBORInt(CborValue &value) {
if (!cbor_value_is_integer(&value))
throw JFJochException(JFJochExceptionCategory::CBORError, "Integer expected");
int64_t tmp;
cborErr(cbor_value_get_int64(&value, &tmp));
cborErr(cbor_value_advance(&value));
return tmp;
}
uint64_t GetCBORUInt(CborValue &value) {
if (!cbor_value_is_unsigned_integer(&value))
throw JFJochException(JFJochExceptionCategory::CBORError, "Unsigned integer expected");
uint64_t tmp;
cborErr(cbor_value_get_uint64(&value, &tmp));
cborErr(cbor_value_advance(&value));
return tmp;
}
float GetCBORFloat(CborValue &value) {
if (cbor_value_is_double(&value)) {
double tmp;
cborErr(cbor_value_get_double(&value, &tmp));
cborErr(cbor_value_advance(&value));
return static_cast<float>(tmp);
} else if (cbor_value_is_float(&value)) {
float tmp;
cborErr(cbor_value_get_float(&value, &tmp));
cborErr(cbor_value_advance(&value));
return tmp;
} else if (cbor_value_is_half_float(&value)) {
float tmp;
cborErr(cbor_value_get_half_float_as_float(&value, &tmp));
cborErr(cbor_value_advance(&value));
return tmp;
}
throw JFJochException(JFJochExceptionCategory::CBORError, "Float expected");
}
bool GetCBORBool(CborValue &value) {
if (!cbor_value_is_boolean(&value)) {
throw JFJochException(JFJochExceptionCategory::CBORError,
"Bool expected " + std::to_string(cbor_value_get_type(&value)));
}
bool tmp;
cborErr(cbor_value_get_boolean(&value, &tmp));
cborErr(cbor_value_advance(&value));
return tmp;
}
CborTag GetCBORTag(CborValue &value) {
if (!cbor_value_is_tag(&value))
throw JFJochException(JFJochExceptionCategory::CBORError, "Tag expected");
CborTag tmp;
cborErr(cbor_value_get_tag(&value, &tmp));
cborErr(cbor_value_advance(&value));
return tmp;
}
std::string GetCBORDateTime(CborValue &value) {
auto tag = GetCBORTag(value);
if (tag == CborDateTimeStringTag)
return GetCBORString(value);
else if (tag == CborUnixTime_tTag) {
time_t t = GetCBORUInt(value);
struct tm tm_buf{};
#ifdef _WIN32
gmtime_s(&tm_buf, &t);
#else
gmtime_r(&t, &tm_buf);
#endif
char buf1[255];
strftime(buf1, sizeof(buf1), "%FT%T", &tm_buf);
return std::string(buf1) + "Z";
} else
throw JFJochException(JFJochExceptionCategory::CBORError, "Time/date tag error");
}
uint64_t GetCBORArrayLen(CborValue &value) {
if (!cbor_value_is_array(&value))
throw JFJochException(JFJochExceptionCategory::CBORError, "Array expected");
size_t array_len;
cborErr(cbor_value_get_array_length(&value, &array_len));
return array_len;
}
uint64_t GetCBORMapLen(CborValue &value) {
if (!cbor_value_is_map(&value))
throw JFJochException(JFJochExceptionCategory::CBORError, "Map expected");
size_t map_len;
cborErr(cbor_value_get_map_length(&value, &map_len));
return map_len;
}
Coord GetCoord(CborValue &value) {
CborValue array_value;
Coord c;
if (GetCBORArrayLen(value) != 3)
throw JFJochException(JFJochExceptionCategory::CBORError, "Vector of 3 elements expected");
cborErr(cbor_value_enter_container(&value, &array_value));
c.x = GetCBORFloat(array_value);
c.y = GetCBORFloat(array_value);
c.z = GetCBORFloat(array_value);
cborErr(cbor_value_leave_container(&value, &array_value));
return c;
}
std::pair<uint64_t, uint64_t> GetRational(CborValue &value) {
std::pair<uint64_t, uint64_t> ret;
if (GetCBORArrayLen(value) != 2)
throw JFJochException(JFJochExceptionCategory::CBORError,
"Rational number expects array of 2 elements");
CborValue array_value;
cborErr(cbor_value_enter_container(&value, &array_value));
ret.first = GetCBORUInt(array_value);
ret.second = GetCBORUInt(array_value);
cborErr(cbor_value_leave_container(&value, &array_value));
return ret;
}
std::map<std::string, float> ProcessThresholdEnergy(CborValue &value) {
if (!cbor_value_is_map(&value))
throw JFJochException(JFJochExceptionCategory::CBORError, "Map expected");
std::map<std::string, float> ret;
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
auto val = GetCBORFloat(map_value);
ret[key] = val;
}
cborErr(cbor_value_leave_container(&value, &map_value));
return ret;
}
UnitCell ProcessUnitCellElement(CborValue &value) {
UnitCell unit_cell{};
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
if (key == "a")
unit_cell.a = GetCBORFloat(map_value);
else if (key == "b")
unit_cell.b = GetCBORFloat(map_value);
else if (key == "c")
unit_cell.c = GetCBORFloat(map_value);
else if (key == "alpha")
unit_cell.alpha = GetCBORFloat(map_value);
else if (key == "beta")
unit_cell.beta = GetCBORFloat(map_value);
else if (key == "gamma")
unit_cell.gamma = GetCBORFloat(map_value);
else
cbor_value_advance(&map_value);
}
cborErr(cbor_value_leave_container(&value, &map_value));
return unit_cell;
}
std::vector<uint64_t> GetCBORDimensionArray(CborValue &value) {
std::vector<uint64_t> ret;
CborValue array_value;
cborErr(cbor_value_enter_container(&value, &array_value));
while (!cbor_value_at_end(&array_value))
ret.push_back(GetCBORUInt(array_value));
cborErr(cbor_value_leave_container(&value, &array_value));
return ret;
}
std::pair<const uint8_t *, size_t> GetCBORByteString(CborValue &value) {
if (!cbor_value_is_byte_string(&value))
throw JFJochException(JFJochExceptionCategory::CBORError, "Bool expected");
size_t len;
cborErr(cbor_value_get_string_length(&value, &len));
// Code below from: https://github.com/dectris/documentation/blob/main/stream_v2/examples/stream2.c
const uint8_t *ptr = cbor_value_get_next_byte(&value);
uint8_t val = *ptr;
if (val < 0x40)
throw JFJochException(JFJochExceptionCategory::CBORError, "Something wrong with byte string tag");
val -= 0x40;
if (val < 24)
ptr += 1;
else if (val == 24)
ptr += 1 + 1;
else if (val == 25)
ptr += 1 + 2;
else if (val == 26)
ptr += 1 + 4;
else if (val == 27)
ptr += 1 + 8;
else
throw JFJochException(JFJochExceptionCategory::CBORError, "Something wrong with byte string tag");
cborErr(cbor_value_advance(&value));
return {ptr, len};
}
void GetCBORUInt8Array(CborValue &value, std::vector<uint8_t> &v) {
if (GetCBORTag(value) != TagUnsignedInt8Bit)
throw JFJochException(JFJochExceptionCategory::CBORError, "Incorrect array type tag");
auto [ptr, len] = GetCBORByteString(value);
v.resize(len);
memcpy(v.data(), ptr, len);
}
// DECTRIS may send this one compressed, like its images
void GetCBORUInt32Array(CborValue &value, std::vector<uint32_t> &v) {
if (GetCBORTag(value) != TagUnsignedInt32BitLE)
throw JFJochException(JFJochExceptionCategory::CBORError, "Incorrect array type tag");
if (!cbor_value_is_tag(&value)) {
auto [ptr, len] = GetCBORByteString(value);
if (len % sizeof(uint32_t))
throw JFJochException(JFJochExceptionCategory::CBORError, "Size mismatch");
v.resize(len / sizeof(uint32_t));
memcpy(v.data(), ptr, len);
return;
}
if (GetCBORTag(value) != TagDECTRISCompression)
throw JFJochException(JFJochExceptionCategory::CBORError, "Unsupported tag");
CborValue array_value;
cborErr(cbor_value_enter_container(&value, &array_value));
auto algorithm_text = GetCBORString(array_value);
CompressionAlgorithm algorithm;
if (algorithm_text == "bslz4")
algorithm = CompressionAlgorithm::BSHUF_LZ4;
else if (algorithm_text == "bszstd")
algorithm = CompressionAlgorithm::BSHUF_ZSTD;
else
throw JFJochException(JFJochExceptionCategory::CBORError, "Unsupported compression algorithm");
GetCBORUInt(array_value); // element size, known from the type tag
auto [ptr, len] = GetCBORByteString(array_value);
cborErr(cbor_value_leave_container(&value, &array_value));
// The bitshuffle header starts with the uncompressed size in bytes
if (len < 12)
throw JFJochException(JFJochExceptionCategory::CBORError, "Compressed array too short");
size_t nelements = bshuf_read_uint64_BE(const_cast<uint8_t *>(ptr)) / sizeof(uint32_t);
JFJochDecompress(v, algorithm, ptr, len, nelements);
}
void GetCBORInt32Array(CborValue &value, std::vector<int32_t> &v) {
if (GetCBORTag(value) != TagSignedInt32BitLE)
throw JFJochException(JFJochExceptionCategory::CBORError, "Incorrect array type tag");
auto [ptr, len] = GetCBORByteString(value);
if (len % sizeof(int32_t))
throw JFJochException(JFJochExceptionCategory::CBORError, "Size mismatch");
v.resize(len / sizeof(int32_t));
memcpy(v.data(), ptr, len);
}
void GetCBORInt64Array(CborValue &value, std::vector<int64_t> &v) {
if (GetCBORTag(value) != TagSignedInt64BitLE)
throw JFJochException(JFJochExceptionCategory::CBORError, "Incorrect array type tag");
auto [ptr, len] = GetCBORByteString(value);
if (len % sizeof(int64_t))
throw JFJochException(JFJochExceptionCategory::CBORError, "Size mismatch");
v.resize(len / sizeof(int64_t));
memcpy(v.data(), ptr, len);
}
void GetCBORFloatArray(CborValue &value, std::vector<float> &v) {
if (GetCBORTag(value) != TagFloatLE)
throw JFJochException(JFJochExceptionCategory::CBORError, "Incorrect array type tag");
auto [ptr, len] = GetCBORByteString(value);
if (len % sizeof(float))
throw JFJochException(JFJochExceptionCategory::CBORError, "Size mismatch");
v.resize(len / sizeof(float));
memcpy(v.data(), ptr, len);
}
void GetCBORDoubleArray(CborValue &value, std::vector<double> &v) {
if (GetCBORTag(value) != TagDoubleLE)
throw JFJochException(JFJochExceptionCategory::CBORError, "Incorrect array type tag");
auto [ptr, len] = GetCBORByteString(value);
if (len % sizeof(double))
throw JFJochException(JFJochExceptionCategory::CBORError, "Size mismatch");
v.resize(len / sizeof(double));
memcpy(v.data(), ptr, len);
}
void GetCBORStringArray(CborValue &value, std::vector<std::string> &v) {
if (!cbor_value_is_array(&value))
throw JFJochException(JFJochExceptionCategory::CBORError, "Array expected");
CborValue array_value;
cborErr(cbor_value_enter_container(&value, &array_value));
while (!cbor_value_at_end(&array_value)) {
v.emplace_back(GetCBORString(array_value));
}
cborErr(cbor_value_leave_container(&value, &array_value));
}
void GetCBORUInt64Array(CborValue &value, std::vector<uint64_t> &v) {
if (GetCBORTag(value) != TagUnsignedInt64BitLE)
throw JFJochException(JFJochExceptionCategory::CBORError, "Incorrect array type tag");
auto [ptr, len] = GetCBORByteString(value);
if (len % sizeof(uint64_t))
throw JFJochException(JFJochExceptionCategory::CBORError, "Size mismatch");
v.resize(len / sizeof(uint64_t));
memcpy(v.data(), ptr, len);
}
CompressedImageMode GetImageMode(CborTag input) {
switch (input) {
case TagHalfLE:
return CompressedImageMode::Float16;
case TagFloatLE:
return CompressedImageMode::Float32;
case TagDoubleLE:
return CompressedImageMode::Float64;
case TagSignedInt8Bit:
return CompressedImageMode::Int8;
case TagUnsignedInt8Bit:
return CompressedImageMode::Uint8;
case TagSignedInt16BitLE:
return CompressedImageMode::Int16;
case TagUnsignedInt16BitLE:
return CompressedImageMode::Uint16;
case TagSignedInt32BitLE:
return CompressedImageMode::Int32;
case TagUnsignedInt32BitLE:
return CompressedImageMode::Uint32;
default:
throw JFJochException(JFJochExceptionCategory::CBORError,
"Only int/uint arrays of 1, 2, 4 bytes per element allowed");
}
}
CompressedImage GetCBORTypedArray(CborValue &value, const std::vector<uint64_t> &dim) {
CompressedImageMode mode = GetImageMode(GetCBORTag(value));
CompressionAlgorithm algorithm = CompressionAlgorithm::NO_COMPRESSION;
size_t xpixel, ypixel;
size_t size;
const uint8_t *ptr = nullptr;
if (cbor_value_is_tag(&value)) {
if (GetCBORTag(value) != TagDECTRISCompression)
throw JFJochException(JFJochExceptionCategory::CBORError, "Unsupported tag");
if (GetCBORArrayLen(value) != 3)
throw JFJochException(JFJochExceptionCategory::CBORError, "Expected 3 element array");
CborValue array_value;
cborErr(cbor_value_enter_container(&value, &array_value));
auto algorithm_text = GetCBORString(array_value);
if (algorithm_text == "bslz4")
algorithm = CompressionAlgorithm::BSHUF_LZ4;
else if (algorithm_text == "bszstd")
algorithm = CompressionAlgorithm::BSHUF_ZSTD;
else
throw JFJochException(JFJochExceptionCategory::CBORError, "Unsupported compression algorithm");
auto pixel_depth_bytes = GetCBORUInt(array_value);
auto ret = GetCBORByteString(array_value);
ptr = ret.first;
size = ret.second;
cborErr(cbor_value_leave_container(&value, &array_value));
} else if (cbor_value_is_byte_string(&value)) {
algorithm = CompressionAlgorithm::NO_COMPRESSION;
auto ret = GetCBORByteString(value);
ptr = ret.first;
size = ret.second;
} else
throw JFJochException(JFJochExceptionCategory::CBORError, "Byte string or compressed array expected");
if (dim.size() == 2) {
xpixel = dim[1];
ypixel = dim[0];
} else if (dim.size() == 3 && dim[0] == 3 && mode == CompressedImageMode::Uint8) {
mode = CompressedImageMode::RGB;
xpixel = dim[2];
ypixel = dim[1];
} else
throw JFJochException(JFJochExceptionCategory::CBORError, "Image dimension not supported");
return CompressedImage(ptr, size, xpixel, ypixel, mode, algorithm);
}
CompressedImage GetCBORMultidimTypedArray(CborValue &value) {
if (GetCBORTag(value) != TagMultiDimArray)
throw JFJochException(JFJochExceptionCategory::CBORError, "Multidim array expected");
if (GetCBORArrayLen(value) != 2)
throw JFJochException(JFJochExceptionCategory::CBORError, "2 element array expected");
CborValue array_value;
cborErr(cbor_value_enter_container(&value, &array_value));
auto dim = GetCBORDimensionArray(array_value);
CompressedImage image = GetCBORTypedArray(array_value, dim);
cborErr(cbor_value_leave_container(&value, &array_value));
return image;
}
void CheckMagicNumber(CborValue &v) {
if (GetCBORUInt(v) != user_data_magic_number)
throw JFJochException(JFJochExceptionCategory::CBORError,
"Inconsistency between Jungfraujoch server and writer");
}
CompressedImage ProcessImageData(CborValue &value) {
if (!cbor_value_is_map(&value))
throw JFJochException(JFJochExceptionCategory::CBORError, "Map expected");
if (GetCBORMapLen(value) != 1)
throw JFJochException(JFJochExceptionCategory::CBORError,
"Single channel images only supported at the moment");
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
std::string channel = GetCBORString(map_value);
CompressedImage image = GetCBORMultidimTypedArray(map_value);
image.Channel(channel);
cborErr(cbor_value_leave_container(&value, &map_value));
return image;
}
// Data message
SpotToSave GetSpot(CborValue &value) {
SpotToSave s{};
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
if (key == "x")
s.x = GetCBORFloat(map_value);
else if (key == "y")
s.y = GetCBORFloat(map_value);
else if (key == "I")
s.intensity = GetCBORFloat(map_value);
else if (key == "maxc")
s.maxc = GetCBORInt(map_value);
else if (key == "ice_ring")
s.ice_ring = GetCBORBool(map_value);
else if (key == "indexed")
s.indexed = GetCBORBool(map_value);
else if (key == "latt")
s.lattice = GetCBORInt(map_value);
else if (key == "h")
s.h = GetCBORInt(map_value);
else if (key == "k")
s.k = GetCBORInt(map_value);
else if (key == "l")
s.l = GetCBORInt(map_value);
else if (key == "dist_ewald")
s.dist_ewald_sphere = GetCBORFloat(map_value);
else if (key == "image")
s.image = GetCBORInt(map_value);
else
cbor_value_advance(&map_value);
}
cborErr(cbor_value_leave_container(&value, &map_value));
return s;
}
void GetCBORSpots(DataMessage &message, CborValue &value) {
size_t array_len = GetCBORArrayLen(value);
CborValue array_value;
cborErr(cbor_value_enter_container(&value, &array_value));
for (int i = 0; i < array_len; i++)
message.spots.push_back(GetSpot(array_value));
cborErr(cbor_value_leave_container(&value, &array_value));
}
Reflection GetReflection(CborValue &value) {
Reflection r{};
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
if (key == "h")
r.h = GetCBORInt(map_value);
else if (key == "k")
r.k = GetCBORInt(map_value);
else if (key == "l")
r.l = GetCBORInt(map_value);
else if (key == "phi")
r.delta_phi_deg = GetCBORFloat(map_value);
else if (key == "x")
r.predicted_x = GetCBORFloat(map_value);
else if (key == "y")
r.predicted_y = GetCBORFloat(map_value);
else if (key == "obs_x")
r.observed_x = GetCBORFloat(map_value);
else if (key == "obs_y")
r.observed_y = GetCBORFloat(map_value);
else if (key == "d")
r.d = GetCBORFloat(map_value);
else if (key == "I")
r.I = GetCBORFloat(map_value);
else if (key == "bkg")
r.bkg = GetCBORFloat(map_value);
else if (key == "var_bkg")
r.var_bkg = GetCBORFloat(map_value);
else if (key == "sigma")
r.sigma = GetCBORFloat(map_value);
else if (key == "image")
r.image_number = GetCBORFloat(map_value);
else if (key == "rlp")
r.prescaling_corr = GetCBORFloat(map_value);
else if (key == "qe")
r.qe_corr = GetCBORFloat(map_value);
else if (key == "flight")
r.flight_corr = GetCBORFloat(map_value);
else if (key == "rp")
r.dist_ewald = GetCBORFloat(map_value);
else if (key == "partiality")
r.partiality = GetCBORFloat(map_value);
else if (key == "zeta")
r.zeta = GetCBORFloat(map_value);
else if (key == "image_scale_corr")
r.image_scale_corr = GetCBORFloat(map_value);
else
cbor_value_advance(&map_value);
}
cborErr(cbor_value_leave_container(&value, &map_value));
return r;
}
void GetCBORReflections(DataMessage &message, CborValue &value) {
size_t array_len = GetCBORArrayLen(value);
CborValue array_value;
cborErr(cbor_value_enter_container(&value, &array_value));
for (int i = 0; i < array_len; i++)
message.reflections.push_back(GetReflection(array_value));
cborErr(cbor_value_leave_container(&value, &array_value));
}
LatticeMessage GetCBORLatticeMessage(CborValue &value) {
LatticeMessage lm{};
lm.centering = 'P';
lm.niggli_class = 0;
lm.crystal_system = gemmi::CrystalSystem::Triclinic;
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
if (key == "centering") {
auto s = GetCBORString(map_value);
char c = s.empty() ? 'P' : s[0];
switch (c) {
case 'P':
case 'A':
case 'B':
case 'C':
case 'I':
case 'F':
case 'R':
lm.centering = c;
break;
default:
break;
}
} else if (key == "niggli_class") {
lm.niggli_class = GetCBORInt(map_value);
} else if (key == "system") {
auto sys = GetCBORString(map_value);
// map known strings to enum
if (sys == "triclinic") lm.crystal_system = gemmi::CrystalSystem::Triclinic;
else if (sys == "monoclinic") lm.crystal_system = gemmi::CrystalSystem::Monoclinic;
else if (sys == "orthorhombic") lm.crystal_system = gemmi::CrystalSystem::Orthorhombic;
else if (sys == "tetragonal") lm.crystal_system = gemmi::CrystalSystem::Tetragonal;
else if (sys == "trigonal") lm.crystal_system = gemmi::CrystalSystem::Trigonal;
else if (sys == "hexagonal") lm.crystal_system = gemmi::CrystalSystem::Hexagonal;
else if (sys == "cubic") lm.crystal_system = gemmi::CrystalSystem::Cubic;
else {
// unknown string, keep default
}
} else {
cbor_value_advance(&map_value);
}
}
cborErr(cbor_value_leave_container(&value, &map_value));
return lm;
}
XrayFluorescenceSpectrum GetCBORFluorescenceSpectrum(CborValue &value) {
std::vector<float> data, energy;
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
if (key == "energy")
GetCBORFloatArray(map_value, energy);
else if (key == "data")
GetCBORFloatArray(map_value, data);
}
cborErr(cbor_value_leave_container(&value, &map_value));
if (data.size() == energy.size() && data.size() > 0)
return {energy, data};
else
return {};
}
CBORImageType DecodeType(CborValue &value) {
if (cbor_value_at_end(&value))
throw JFJochException(JFJochExceptionCategory::CBORError, "Message empty");
if (GetCBORString(value) != "type")
throw JFJochException(JFJochExceptionCategory::CBORError, "First CBOR entry must by type");
if (cbor_value_at_end(&value))
throw JFJochException(JFJochExceptionCategory::CBORError, "Message empty");
auto type_str = GetCBORString(value);
if (type_str == "start")
return CBORImageType::START;
if (type_str == "end")
return CBORImageType::END;
if (type_str == "image")
return CBORImageType::IMAGE;
if (type_str == "calibration")
return CBORImageType::CALIBRATION;
if (type_str == "metadata")
return CBORImageType::METADATA;
throw JFJochException(JFJochExceptionCategory::CBORError, "Unknown message type");
}
// Data message
ROIMessage ProcessROIElement(CborValue &value) {
ROIMessage msg{};
// value
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
if (key == "sum")
msg.sum = GetCBORInt(map_value);
else if (key == "sum_square")
msg.sum_square = GetCBORUInt(map_value);
else if (key == "max_count")
msg.max_count = GetCBORInt(map_value);
else if (key == "pixels")
msg.pixels = GetCBORUInt(map_value);
else if (key == "x_weighted_sum")
msg.x_weighted = GetCBORInt(map_value);
else if (key == "y_weighted_sum")
msg.y_weighted = GetCBORInt(map_value);
else
cbor_value_advance(&map_value);
}
cborErr(cbor_value_leave_container(&value, &map_value));
return msg;
}
void ProcessROIElementMap(DataMessage &message, CborValue &value) {
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
// key
const std::string roi_name = GetCBORString(map_value);
// value
message.roi[roi_name] = ProcessROIElement(map_value);
}
cborErr(cbor_value_leave_container(&value, &map_value));
}
bool ProcessDataMessageElement(DataMessage &message, CborValue &value) {
if (cbor_value_at_end(&value))
return false;
const auto key = GetCBORString(value);
try {
if (key == "image_id")
message.number = GetCBORInt(value);
else if (key == "original_image_id")
message.original_number = GetCBORInt(value);
else if (key == "data")
message.image = ProcessImageData(value);
else if (key == "series_unique_id")
message.run_name = GetCBORString(value);
else if (key == "series_id")
message.run_number = GetCBORUInt(value);
else if (key == "real_time") {
auto r = GetRational(value);
message.exptime = r.first;
message.exptime_base = r.second;
} else if (key == "start_time") {
auto r = GetRational(value);
message.timestamp = r.first;
message.timestamp_base = r.second;
} else if (key == "user_data") {
const std::string s = GetCBORString(value);
try {
message.user_data = nlohmann::json::parse(s);
} catch (...) {
message.user_data = s;
}
} else if (key == "spots")
GetCBORSpots(message, value);
else if (key == "reflections")
GetCBORReflections(message, value);
else if (key == "spot_count")
message.spot_count = GetCBORUInt(value);
else if (key == "spot_count_low_res")
message.spot_count_low_res = GetCBORUInt(value);
else if (key == "spot_count_indexed")
message.spot_count_indexed = GetCBORUInt(value);
else if (key == "spot_count_ice_rings")
message.spot_count_ice_rings = GetCBORUInt(value);
else if (key == "spot_count_ice_control")
message.spot_count_ice_control = GetCBORFloat(value);
else if (key == "az_int_profile")
GetCBORFloatArray(value, message.az_int_profile);
else if (key == "az_int_profile_std")
GetCBORFloatArray(value, message.az_int_profile_std);
else if (key == "az_int_profile_count")
GetCBORUInt64Array(value, message.az_int_profile_count);
else if (key == "indexing_result")
message.indexing_result = GetCBORBool(value);
else if (key == "indexing_lattice_count")
message.indexing_lattice_count = GetCBORInt(value);
else if (key == "indexing_lattice") {
std::vector<float> tmp;
GetCBORFloatArray(value, tmp);
message.indexing_lattice = CrystalLattice(tmp);
} else if (key == "indexing_extra_lattices") {
size_t array_len = GetCBORArrayLen(value);
CborValue array_value;
cborErr(cbor_value_enter_container(&value, &array_value));
for (size_t i = 0; i < array_len; i++) {
std::vector<float> tmp;
GetCBORFloatArray(array_value, tmp);
if (tmp.size() == 9)
message.indexing_extra_lattices.emplace_back(tmp);
}
cborErr(cbor_value_leave_container(&value, &array_value));
} else if (key == "indexing_time")
message.indexing_time_s = GetCBORFloat(value);
else if (key == "spot_finding_time")
message.spot_finding_time_s = GetCBORFloat(value);
else if (key == "integration_time")
message.integration_time_s = GetCBORFloat(value);
else if (key == "bragg_prediction_time")
message.bragg_prediction_time_s = GetCBORFloat(value);
else if (key == "refinement_time")
message.refinement_time_s = GetCBORFloat(value);
else if (key == "index_analysis_time")
message.index_analysis_time_s = GetCBORFloat(value);
else if (key == "processing_time")
message.processing_time_s = GetCBORFloat(value);
else if (key == "preprocessing_time")
message.preprocessing_time_s = GetCBORFloat(value);
else if (key == "compression_time")
message.compression_time_s = GetCBORFloat(value);
else if (key == "image_scale_time")
message.image_scale_time_s = GetCBORFloat(value);
else if (key == "azint_time")
message.azint_time_s = GetCBORFloat(value);
else if (key == "profile_radius")
message.profile_radius = GetCBORFloat(value);
else if (key == "mosaicity")
message.mosaicity_deg = GetCBORFloat(value);
else if (key == "b_factor")
message.b_factor = GetCBORFloat(value);
else if (key == "integrated_reflections")
message.integrated_reflections = GetCBORInt(value);
else if (key == "indexing_unit_cell")
message.indexing_unit_cell = ProcessUnitCellElement(value);
else if (key == "lattice_type")
message.lattice_type = GetCBORLatticeMessage(value);
else if (key == "jf_info")
message.jf_info = GetCBORUInt(value) & UINT32_MAX;
else if (key == "receiver_aq_dev_delay")
message.receiver_aq_dev_delay = GetCBORInt(value);
else if (key == "receiver_free_send_buf")
message.receiver_buf_available = GetCBORInt(value);
else if (key == "receiver_buf_in_sending")
message.receiver_buf_in_sending = GetCBORInt(value);
else if (key == "receiver_buf_in_preparation")
message.receiver_buf_in_preparation = GetCBORInt(value);
else if (key == "storage_cell")
message.storage_cell = GetCBORUInt(value) & UINT32_MAX;
else if (key == "xfel_pulse_id")
message.xfel_pulse_id = GetCBORUInt(value);
else if (key == "xfel_event_code")
message.xfel_event_code = GetCBORUInt(value);
else if (key == "saturated_pixel_count")
message.saturated_pixel_count = GetCBORUInt(value);
else if (key == "error_pixel_count")
message.error_pixel_count = GetCBORUInt(value);
else if (key == "pixel_sum")
message.pixel_sum = GetCBORInt(value);
else if (key == "strong_pixel_count")
message.strong_pixel_count = GetCBORUInt(value);
else if (key == "min_viable_pixel_value")
message.min_viable_pixel_value = GetCBORInt(value);
else if (key == "max_viable_pixel_value")
message.max_viable_pixel_value = GetCBORInt(value);
else if (key == "resolution_estimate")
message.resolution_estimate = GetCBORFloat(value);
else if (key == "data_collection_efficiency")
message.image_collection_efficiency = GetCBORFloat(value);
else if (key == "packets_expected")
message.packets_expected = GetCBORUInt(value);
else if (key == "packets_received")
message.packets_received = GetCBORUInt(value);
else if (key == "bkg_estimate")
message.bkg_estimate = GetCBORFloat(value);
else if (key == "ice_ring_score")
message.ice_ring_score = GetCBORFloat(value);
else if (key == "spindle_blind_fraction")
message.spindle_blind_fraction = GetCBORFloat(value);
else if (key == "adu_histogram")
GetCBORUInt64Array(value, message.adu_histogram);
else if (key == "beam_corr_x")
message.beam_corr_x = GetCBORFloat(value);
else if (key == "beam_corr_y")
message.beam_corr_y = GetCBORFloat(value);
else if (key == "image_scale_factor")
message.image_scale_factor = GetCBORFloat(value);
else if (key == "image_scale_cc")
message.image_scale_cc = GetCBORFloat(value);
else if (key == "image_scale_mosaicity")
message.image_scale_mosaicity = GetCBORFloat(value);
else if (key == "roi_integrals")
ProcessROIElementMap(message, value);
else {
if (cbor_value_is_tag(&value))
cbor_value_advance(&value);
cbor_value_advance(&value);
}
return true;
} catch (const JFJochException &e) {
throw JFJochException(JFJochExceptionCategory::CBORError,
"Error processing image message, key " + key + ":" + e.what());
}
}
bool ProcessMetadataImagesElement(MetadataMessage &metadata, CborValue &value) {
if (cbor_value_at_end(&value))
return false;
if (!cbor_value_is_map(&value))
throw JFJochException(JFJochExceptionCategory::CBORError, "images@metadata must be map");
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
DataMessage message{};
while (ProcessDataMessageElement(message, map_value)) {}
metadata.images.push_back(std::move(message));
cborErr(cbor_value_leave_container(&value, &map_value));
return true;
}
bool ProcessMetadataMessageElement(MetadataMessage &metadata, CborValue &value) {
if (cbor_value_at_end(&value))
return false;
const auto key = GetCBORString(value);
try {
if (key == "series_unique_id")
metadata.run_name = GetCBORString(value);
else if (key == "series_id")
metadata.run_number = GetCBORUInt(value);
else if (key == "images") {
if (!cbor_value_is_array(&value))
throw JFJochException(JFJochExceptionCategory::CBORError, "images@metadata must be array");
CborValue array_value;
cborErr(cbor_value_enter_container(&value, &array_value));
while (ProcessMetadataImagesElement(metadata, array_value)) {}
cborErr(cbor_value_leave_container(&value, &array_value));
} else {
if (cbor_value_is_tag(&value))
cbor_value_advance(&value);
cbor_value_advance(&value);
}
return true;
} catch (const JFJochException &e) {
throw JFJochException(JFJochExceptionCategory::CBORError,
"Error processing image message, key " + key + ":" + e.what());
}
}
// Start message
void ProcessAxis(CborValue &value, float v[3]) {
if (GetCBORArrayLen(value) != 3)
throw JFJochException(JFJochExceptionCategory::CBORError, "Array with 3 floats expected");
CborValue array_value;
cborErr(cbor_value_enter_container(&value, &array_value));
for (int i = 0; i < 3; i++)
v[i] = GetCBORFloat(array_value);
cborErr(cbor_value_leave_container(&value, &array_value));
}
std::optional<GridScanSettings> ProcessGridScan(CborValue &value) {
int64_t n_fast = 0;
int64_t n_slow = 0;
float step_x_um = 0;
float step_y_um = 0;
bool snake = false;
bool vertical = false;
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
if (key == "n_fast")
n_fast = GetCBORInt(map_value);
else if (key == "n_slow")
n_slow = GetCBORInt(map_value);
else if (key == "step_x_axis")
step_x_um = GetCBORFloat(map_value) * 1e6f;
else if (key == "step_y_axis")
step_y_um = GetCBORFloat(map_value) * 1e6f;
else if (key == "snake_scan")
snake = GetCBORBool(map_value);
else if (key == "vertical_scan")
vertical = GetCBORBool(map_value);
else
cbor_value_advance(&map_value);
}
cborErr(cbor_value_leave_container(&value, &map_value));
GridScanSettings grid(n_fast, step_x_um, step_y_um,
snake, vertical);
grid.ImageNum(n_fast * n_slow);
return grid;
}
std::optional<GoniometerAxis> ProcessGoniometer(std::string &name, CborValue &value) {
float start = 0;
float increment = 1;
Coord axis = {1,0,0};
std::optional<Coord> helical;
std::optional<float> screening_wedge;
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
if (key == "increment")
increment = GetCBORFloat(map_value);
else if (key == "start")
start = GetCBORFloat(map_value);
else if (key == "axis")
axis = GetCoord(map_value);
else if (key == "helical_step")
helical = GetCoord(map_value);
else if (key == "screening_wedge")
screening_wedge = GetCBORFloat(map_value);
else
cbor_value_advance(&map_value);
}
cborErr(cbor_value_leave_container(&value, &map_value));
// A stationary axis (increment 0) is kept: it says where the head was, which is real
// information for a still or a grid scan. Whether the data is a rotation sweep is asked
// separately, through GoniometerAxis::IsScanning.
auto g = GoniometerAxis(name, start, increment, axis, helical);
g.ScreeningWedge(screening_wedge);
return g;
}
void ProcessROIConfig(StartMessage &message, const nlohmann::json &j) {
if (!j.is_array())
return;
for (const auto &jr: j) {
ROIConfig cfg;
try {
cfg.name = jr["name"];
if (jr["type"] == "box") {
cfg.type = ROIConfig::ROIType::Box;
cfg.box.xmin = jr["xmin"];
cfg.box.xmax = jr["xmax"];
cfg.box.ymin = jr["ymin"];
cfg.box.ymax = jr["ymax"];
message.rois.emplace_back(std::move(cfg));
} else if (jr["type"] == "circle") {
cfg.type = ROIConfig::ROIType::Circle;
cfg.circle.r = jr["r"];
cfg.circle.x = jr["x"];
cfg.circle.y = jr["y"];
message.rois.emplace_back(std::move(cfg));
} else if (jr["type"] == "azim") {
cfg.type = ROIConfig::ROIType::Azim;
cfg.azim.qmin = jr["qmin"];
cfg.azim.qmax = jr["qmax"];
// Absent phi (older streams) means a full ring.
cfg.azim.phi_min = jr.value("phi_min", 0.0f);
cfg.azim.phi_max = jr.value("phi_max", 0.0f);
message.rois.emplace_back(std::move(cfg));
} else
continue;
} catch (...) {
// For now ignore things that are incorrect
}
}
}
// The ordered sample chain, 1:1 with DetectorTransformation. An array, so the mounting order
// survives; a CBOR map carries no order a consumer may rely on.
void ProcessTransformations(std::vector<DetectorTransformation> &chain, CborValue &value) {
CborValue array_value;
cborErr(cbor_value_enter_container(&value, &array_value));
while (!cbor_value_at_end(&array_value)) {
CborValue map_value;
cborErr(cbor_value_enter_container(&array_value, &map_value));
DetectorTransformation axis;
std::vector<float> values;
while (!cbor_value_at_end(&map_value)) {
const auto key = GetCBORString(map_value);
if (key == "name")
axis.Name(GetCBORString(map_value));
else if (key == "transformation_type")
axis.Type(GetCBORString(map_value) == "rotation" ? TransformationType::Rotation
: TransformationType::Translation);
else if (key == "units")
axis.Units(GetCBORString(map_value));
else if (key == "vector")
axis.Vector(GetCoord(map_value));
else if (key == "offset")
axis.Offset(GetCoord(map_value));
else if (key == "depends_on")
axis.DependsOn(GetCBORString(map_value));
else if (key == "equipment")
axis.Equipment(GetCBORString(map_value));
else if (key == "equipment_component")
axis.EquipmentComponent(GetCBORString(map_value));
else if (key == "values")
GetCBORFloatArray(map_value, values);
else
cbor_value_advance(&map_value);
}
cborErr(cbor_value_leave_container(&array_value, &map_value));
if (axis.GetName().empty())
throw JFJochException(JFJochExceptionCategory::CBORError,
"Transformation axis without a name");
axis.Values(values);
chain.push_back(axis);
}
cborErr(cbor_value_leave_container(&value, &array_value));
}
void ProcessGoniometerMap(StartMessage &message, CborValue &value) {
CborValue map_value;
if (GetCBORMapLen(value) > 1)
throw JFJochException(JFJochExceptionCategory::CBORError, "Max one rotation angle allowed");
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
message.goniometer = ProcessGoniometer(key, map_value);
}
cborErr(cbor_value_leave_container(&value, &map_value));
}
void ProcessPixelMaskElement(StartMessage &message, CborValue &value) {
// For calibration and mask - image might be accessed later on - so it is saved in internal storage of the object
// It allows the original start message to be lost
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
CompressedImage image = GetCBORMultidimTypedArray(map_value);
image.Channel(key);
if (image.GetMode() != CompressedImageMode::Uint32)
continue;
std::vector<uint32_t> mask_uncompressed;
JFJochDecompress(mask_uncompressed, image.GetCompressionAlgorithm(),
image.GetCompressed(), image.GetCompressedSize(),
image.GetWidth() * image.GetHeight());
message.pixel_mask[key] = mask_uncompressed;
}
cborErr(cbor_value_leave_container(&value, &map_value));
}
void ProcessAzintMapElement(StartMessage &message, CborValue &value) {
CompressedImage image = GetCBORMultidimTypedArray(value);
if (image.GetMode() == CompressedImageMode::Uint16)
JFJochDecompress(message.az_int_map, image.GetCompressionAlgorithm(),
image.GetCompressed(), image.GetCompressedSize(),
image.GetWidth() * image.GetHeight());
}
void ProcessROIMapElement(StartMessage &message, CborValue &value) {
CompressedImage image = GetCBORMultidimTypedArray(value);
if (image.GetMode() == CompressedImageMode::Uint16)
JFJochDecompress(message.roi_map, image.GetCompressionAlgorithm(),
image.GetCompressed(), image.GetCompressedSize(),
image.GetWidth() * image.GetHeight());
}
std::optional<FileWriterFormat> ProcessHDF5Format(int input) {
auto tmp = static_cast<FileWriterFormat>(input);
switch (tmp) {
case FileWriterFormat::DataOnly:
case FileWriterFormat::NXmxLegacy:
case FileWriterFormat::NXmxIntegrated:
case FileWriterFormat::NXmxVDS:
case FileWriterFormat::NoFile:
return tmp;
default:
// don't throw exception, just do default
return {};
}
}
void ProcessStartUserData(StartMessage &message, CborValue &value) {
try {
const std::string s = GetCBORString(value);
auto j = nlohmann::json::parse(s);
if (!j.is_object())
return;
if (j.contains("file_prefix"))
message.file_prefix = j["file_prefix"];
if (j.contains("images_per_file"))
message.images_per_file = j["images_per_file"];
if (j.contains("user"))
message.user_data = j["user"];
if (j.contains("sample_name"))
message.sample_name = j["sample_name"];
if (j.contains("source_name"))
message.source_name = j["source_name"];
if (j.contains("source_type"))
message.source_type = j["source_type"];
if (j.contains("instrument_name"))
message.instrument_name = j["instrument_name"];
if (j.contains("total_flux"))
message.total_flux = j["total_flux"];
if (j.contains("attenuator_transmission"))
message.attenuator_transmission = j["attenuator_transmission"];
if (j.contains("space_group_number"))
message.space_group_number = j["space_group_number"];
if (j.contains("roi"))
ProcessROIConfig(message, j["roi"]);
if (j.contains("gain_file_names"))
message.gain_file_names = j["gain_file_names"];
if (j.contains("write_images"))
message.write_images = j["write_images"];
if (j.contains("write_master_file"))
message.write_master_file = j["write_master_file"];
if (j.contains("data_reduction_factor_serialmx"))
message.data_reduction_factor_serialmx = j["data_reduction_factor_serialmx"];
if (j.contains("experiment_group"))
message.experiment_group = j["experiment_group"];
if (j.contains("jfjoch_release"))
message.jfjoch_release = j["jfjoch_release"];
if (j.contains("socket_number"))
message.socket_number = j["socket_number"];
if (j.contains("writer_notification_zmq_addr"))
message.writer_notification_zmq_addr = j["writer_notification_zmq_addr"];
if (j.contains("bit_depth_readout"))
message.bit_depth_readout = j["bit_depth_readout"];
if (j.contains("underload_value"))
message.underload_value = j["underload_value"];
if (j.contains("summation_mode"))
message.summation_mode = j["summation_mode"];
if (j.contains("overwrite"))
message.overwrite = j["overwrite"];
if (j.contains("xfel_pulse_id"))
message.xfel_pulse_id = j["xfel_pulse_id"];
if (j.contains("file_format"))
message.file_format = ProcessHDF5Format(j["file_format"]);
if (j.contains("poni_rot1"))
message.poni_rot1 = j["poni_rot1"];
if (j.contains("poni_rot2"))
message.poni_rot2 = j["poni_rot2"];
if (j.contains("poni_rot3"))
message.poni_rot3 = j["poni_rot3"];
if (j.contains("detect_ice_rings"))
message.detect_ice_rings = j["detect_ice_rings"];
if (j.contains("images_per_trigger"))
message.images_per_trigger = j["images_per_trigger"];
if (j.contains("indexing_algorithm")) {
if (j["indexing_algorithm"] == "fft")
message.indexing_algorithm = IndexingAlgorithmEnum::FFT;
else if (j["indexing_algorithm"] == "fftw")
message.indexing_algorithm = IndexingAlgorithmEnum::FFTW;
else if (j["indexing_algorithm"] == "ffbidx")
message.indexing_algorithm = IndexingAlgorithmEnum::FFBIDX;
else
message.indexing_algorithm = IndexingAlgorithmEnum::None;
}
if (j.contains("geom_refinement_algorithm")) {
if (j["geom_refinement_algorithm"] == "beam_center")
message.geom_refinement_algorithm = GeomRefinementAlgorithmEnum::BeamCenter;
else
message.geom_refinement_algorithm = GeomRefinementAlgorithmEnum::None;
}
if (j.contains("smargon")
&& j["smargon"].is_object()
&& j["smargon"].contains("chi_deg")
&& j["smargon"].contains("phi_deg")
&& j["smargon"]["chi_deg"].is_number()
&& j["smargon"]["phi_deg"].is_number()) {
SmargonPosition smargon;
smargon.phi_deg = j["smargon"]["phi_deg"].get<float>();
smargon.chi_deg = j["smargon"]["chi_deg"].get<float>();
if (j["smargon"].contains("chi_axis") && j["smargon"]["chi_axis"].is_array()
&& j["smargon"]["chi_axis"].size() == 3)
smargon.chi_axis = {j["smargon"]["chi_axis"][0].get<float>(),
j["smargon"]["chi_axis"][1].get<float>(),
j["smargon"]["chi_axis"][2].get<float>()};
if (j["smargon"].contains("phi_axis") && j["smargon"]["phi_axis"].is_array()
&& j["smargon"]["phi_axis"].size() == 3)
smargon.phi_axis = {j["smargon"]["phi_axis"][0].get<float>(),
j["smargon"]["phi_axis"][1].get<float>(),
j["smargon"]["phi_axis"][2].get<float>()};
message.smargon_position = smargon;
}
if (j.contains("ring_current_mA"))
message.ring_current_mA = j["ring_current_mA"];
if (j.contains("sample_temperature_K"))
message.sample_temperature_K = j["sample_temperature_K"];
} catch (const std::exception &e) {
throw JFJochException(JFJochExceptionCategory::CBORError,
"Cannot parse user_data as valid JSON " + std::string(e.what()));
}
}
bool ProcessStartMessageElement(StartMessage &message, CborValue &value) {
if (cbor_value_at_end(&value))
return false;
const auto key = GetCBORString(value);
try {
if (key == "magic_number")
CheckMagicNumber(value);
else if (key == "beam_center_x")
message.beam_center_x = GetCBORFloat(value);
else if (key == "beam_center_y")
message.beam_center_y = GetCBORFloat(value);
else if (key == "direct_beam_x")
message.direct_beam_x = GetCBORFloat(value);
else if (key == "direct_beam_y")
message.direct_beam_y = GetCBORFloat(value);
else if (key == "detector_distance")
message.detector_distance = GetCBORFloat(value);
else if (key == "number_of_images")
message.number_of_images = GetCBORUInt(value);
else if (key == "countrate_correction_enabled")
message.countrate_correction_enabled = GetCBORBool(value);
else if (key == "countrate_correction_lookup_table")
GetCBORUInt32Array(value, message.countrate_correction_lookup_table);
else if (key == "flatfield_enabled")
message.flatfield_enabled = GetCBORBool(value);
else if (key == "virtual_pixel_interpolation_enabled")
message.virtual_pixel_interpolation_enabled = GetCBORBool(value);
else if (key == "image_size_x")
message.image_size_x = GetCBORUInt(value);
else if (key == "image_size_y")
message.image_size_y = GetCBORUInt(value);
else if (key == "incident_energy")
message.incident_energy = GetCBORFloat(value);
else if (key == "incident_wavelength")
message.incident_wavelength = GetCBORFloat(value);
else if (key == "incident_wavelength_spread")
message.incident_wavelength_spread = GetCBORFloat(value);
else if (key == "beam_size_x")
message.beam_size_x = GetCBORFloat(value);
else if (key == "beam_size_y")
message.beam_size_y = GetCBORFloat(value);
else if (key == "frame_time")
message.frame_time = GetCBORFloat(value);
else if (key == "count_time")
message.count_time = GetCBORFloat(value);
else if (key == "saturation_value")
message.saturation_value = GetCBORInt(value);
else if (key == "error_value")
message.error_value = GetCBORInt(value);
else if (key == "pixel_size_x")
message.pixel_size_x = GetCBORFloat(value);
else if (key == "pixel_size_y")
message.pixel_size_y = GetCBORFloat(value);
else if (key == "sensor_thickness")
message.sensor_thickness = GetCBORFloat(value);
else if (key == "sensor_material")
message.sensor_material = GetCBORString(value);
else if (key == "detector_description")
message.detector_description = GetCBORString(value);
else if (key == "detector_serial_number")
message.detector_serial_number = GetCBORString(value);
else if (key == "series_unique_id")
message.run_name = GetCBORString(value);
else if (key == "series_id")
message.run_number = GetCBORUInt(value);
else if (key == "pixel_mask")
ProcessPixelMaskElement(message, value);
else if (key == "az_int_map")
ProcessAzintMapElement(message, value);
else if (key == "roi_map")
ProcessROIMapElement(message, value);
else if (key == "channels")
GetCBORStringArray(value, message.channels);
else if (key == "detector_translation")
ProcessAxis(value, message.detector_translation);
else if (key == "goniometer")
ProcessGoniometerMap(message, value);
else if (key == "grid_scan")
message.grid_scan = ProcessGridScan(value);
else if (key == "pixel_mask_enabled")
message.pixel_mask_enabled = GetCBORBool(value);
else if (key == "jungfrau_conversion_enabled")
message.jungfrau_conversion_enabled = GetCBORBool(value);
else if (key == "geometry_transformation_enabled")
message.geometry_transformation_enabled = GetCBORBool(value);
else if (key == "mirror_y")
message.mirror_y = GetCBORBool(value);
else if (key == "detector_orientation_mirror_y")
message.detector_orientation_mirror_y = GetCBORBool(value);
else if (key == "detector_orientation_quarter_turns")
message.detector_orientation_quarter_turns = GetCBORInt(value);
else if (key == "jungfrau_conversion_factor")
message.jungfrau_conversion_factor = GetCBORFloat(value);
else if (key == "arm_date")
message.arm_date = GetCBORDateTime(value);
else if (key == "fluorescence")
message.fluorescence_spectrum = GetCBORFluorescenceSpectrum(value);
else if (key == "user_data")
ProcessStartUserData(message, value);
else if (key == "unit_cell")
message.unit_cell = ProcessUnitCellElement(value);
else if (key == "max_spot_count")
message.max_spot_count = GetCBORUInt(value);
else if (key == "max_extra_lattices")
message.max_extra_lattices = GetCBORUInt(value);
else if (key == "threshold_energy")
message.threshold_energy = ProcessThresholdEnergy(value);
else if (key == "image_dtype") {
auto val = GetCBORString(value);
if (val == "uint8") {
message.pixel_signed = false;
message.bit_depth_image = 8;
} else if (val == "int8") {
message.pixel_signed = true;
message.bit_depth_image = 8;
} else if (val == "uint16") {
message.pixel_signed = false;
message.bit_depth_image = 16;
} else if (val == "int16") {
message.pixel_signed = true;
message.bit_depth_image = 16;
} else if (val == "uint32") {
message.pixel_signed = false;
message.bit_depth_image = 32;
} else if (val == "int32") {
message.pixel_signed = true;
message.bit_depth_image = 32;
}
} else if (key == "az_int_q_bin_count")
message.az_int_q_bin_count = GetCBORInt(value);
else if (key == "az_int_phi_bin_count")
message.az_int_phi_bin_count = GetCBORInt(value);
else if (key == "az_int_bin_to_q")
GetCBORFloatArray(value, message.az_int_bin_to_q);
else if (key == "az_int_bin_to_two_theta")
GetCBORFloatArray(value, message.az_int_bin_to_two_theta);
else if (key == "az_int_bin_to_phi")
GetCBORFloatArray(value, message.az_int_bin_to_phi);
else if (key == "summation")
message.summation = GetCBORUInt(value);
else if (key == "storage_cell_number")
message.storage_cell_number = GetCBORUInt(value);
else if (key == "storage_cell_delay")
message.storage_cell_delay_ns = GetRational(value).first;
else {
if (cbor_value_is_tag(&value))
cbor_value_advance(&value);
cbor_value_advance(&value);
}
return true;
} catch (const JFJochException &e) {
throw JFJochException(JFJochExceptionCategory::CBORError,
"Error processing start message, key " + key + ":" + e.what());
}
}
// Calibration
bool ProcessCalibration(CompressedImage &message, CborValue &value) {
if (cbor_value_at_end(&value))
return false;
else {
auto key = GetCBORString(value);
try {
if (key == "data") {
message = ProcessImageData(value);
} else {
if (cbor_value_is_tag(&value))
cbor_value_advance(&value);
cbor_value_advance(&value);
}
return true;
} catch (const JFJochException &e) {
throw JFJochException(JFJochExceptionCategory::CBORError,
"Error processing calibration message, key " + key + ":" + e.what());
}
}
}
// EndMessage
void ProcessRadIntResultElement(EndMessage &message, CborValue &value) {
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
std::vector<float> val;
GetCBORFloatArray(map_value, val);
message.az_int_result[key] = val;
}
cborErr(cbor_value_leave_container(&value, &map_value));
}
void ProcessADUHistogramElement(EndMessage &message, CborValue &value) {
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
std::vector<uint64_t> val;
GetCBORUInt64Array(map_value, val);
message.adu_histogram[key] = val;
}
cborErr(cbor_value_leave_container(&value, &map_value));
}
// A key this build does not know: a tagged item takes two advances (see ProcessEndMessageElement).
void SkipCBORValue(CborValue &value) {
if (cbor_value_is_tag(&value))
cbor_value_advance(&value);
cbor_value_advance(&value);
}
MtzTable::Dataset ProcessMtzDatasetElement(CborValue &value) {
MtzTable::Dataset d;
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
if (key == "project_name") d.project_name = GetCBORString(map_value);
else if (key == "crystal_name") d.crystal_name = GetCBORString(map_value);
else if (key == "dataset_name") d.dataset_name = GetCBORString(map_value);
else if (key == "wavelength") d.wavelength_A = GetCBORFloat(map_value);
else SkipCBORValue(map_value);
}
cborErr(cbor_value_leave_container(&value, &map_value));
return d;
}
MtzTable::Column ProcessMtzColumnElement(CborValue &value) {
MtzTable::Column c;
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
if (key == "label") c.label = GetCBORString(map_value);
else if (key == "type") c.type = GetCBORString(map_value).at(0);
else if (key == "dataset_id") c.dataset_id = static_cast<int32_t>(GetCBORInt(map_value));
else if (key == "values") GetCBORFloatArray(map_value, c.values);
else SkipCBORValue(map_value);
}
cborErr(cbor_value_leave_container(&value, &map_value));
return c;
}
MtzTable::Batch ProcessMtzBatchElement(CborValue &value) {
MtzTable::Batch b;
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
if (key == "number") b.number = static_cast<int32_t>(GetCBORInt(map_value));
else if (key == "title") b.title = GetCBORString(map_value);
else if (key == "ints") GetCBORInt32Array(map_value, b.ints);
else if (key == "floats") GetCBORFloatArray(map_value, b.floats);
else if (key == "axes") GetCBORStringArray(map_value, b.axes);
else SkipCBORValue(map_value);
}
cborErr(cbor_value_leave_container(&value, &map_value));
return b;
}
MtzTable ProcessMtzTableElement(CborValue &value) {
MtzTable t;
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
if (key == "title") t.title = GetCBORString(map_value);
else if (key == "unit_cell") t.unit_cell = ProcessUnitCellElement(map_value);
else if (key == "space_group_name") t.space_group_name = GetCBORString(map_value);
else if (key == "history") GetCBORStringArray(map_value, t.history);
else if (key == "sort_order") {
std::vector<int32_t> v;
GetCBORInt32Array(map_value, v);
if (v.size() != t.sort_order.size())
throw JFJochException(JFJochExceptionCategory::CBORError, "MTZ sort order of wrong length");
std::copy(v.begin(), v.end(), t.sort_order.begin());
} else if (key == "datasets" || key == "columns" || key == "batches") {
CborValue array_value;
cborErr(cbor_value_enter_container(&map_value, &array_value));
while (!cbor_value_at_end(&array_value)) {
if (key == "datasets") t.datasets.push_back(ProcessMtzDatasetElement(array_value));
else if (key == "columns") t.columns.push_back(ProcessMtzColumnElement(array_value));
else t.batches.push_back(ProcessMtzBatchElement(array_value));
}
cborErr(cbor_value_leave_container(&map_value, &array_value));
} else SkipCBORValue(map_value);
}
cborErr(cbor_value_leave_container(&value, &map_value));
return t;
}
PlacedModelMessage ProcessPlacedModelElement(CborValue &value) {
PlacedModelMessage m;
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
while (!cbor_value_at_end(&map_value)) {
auto key = GetCBORString(map_value);
if (key == "name") m.name = GetCBORString(map_value);
else if (key == "unit_cell") m.unit_cell = ProcessUnitCellElement(map_value);
else if (key == "space_group_name") m.space_group_name = GetCBORString(map_value);
else if (key == "model_space_group_name") m.model_space_group_name = GetCBORString(map_value);
else if (key == "model_number") GetCBORInt32Array(map_value, m.model_number);
else if (key == "chain") GetCBORStringArray(map_value, m.chain);
else if (key == "residue_name") GetCBORStringArray(map_value, m.residue_name);
else if (key == "seq_num") GetCBORInt32Array(map_value, m.seq_num);
else if (key == "icode") GetCBORUInt8Array(map_value, m.icode);
else if (key == "het_flag") GetCBORUInt8Array(map_value, m.het_flag);
else if (key == "atom_name") GetCBORStringArray(map_value, m.atom_name);
else if (key == "element") GetCBORStringArray(map_value, m.element);
else if (key == "altloc") GetCBORUInt8Array(map_value, m.altloc);
else if (key == "charge") GetCBORInt32Array(map_value, m.charge);
else if (key == "x") GetCBORDoubleArray(map_value, m.x);
else if (key == "y") GetCBORDoubleArray(map_value, m.y);
else if (key == "z") GetCBORDoubleArray(map_value, m.z);
else if (key == "b_iso") GetCBORFloatArray(map_value, m.b_iso);
else if (key == "occupancy") GetCBORFloatArray(map_value, m.occupancy);
else if (key == "aniso") GetCBORFloatArray(map_value, m.aniso);
else SkipCBORValue(map_value);
}
cborErr(cbor_value_leave_container(&value, &map_value));
return m;
}
bool ProcessEndMessageElement(EndMessage &message, CborValue &value) {
if (cbor_value_at_end(&value))
return false;
auto key = GetCBORString(value);
try {
if (key == "end_date")
message.end_date = GetCBORString(value);
else if (key == "series_unique_id")
message.run_name = GetCBORString(value);
else if (key == "series_id")
message.run_number = GetCBORUInt(value);
else if (key == "transformations")
ProcessTransformations(message.transformations, value);
else if (key == "max_image_number")
message.max_image_number = GetCBORUInt(value);
else if (key == "images_collected")
message.images_collected_count = GetCBORUInt(value);
else if (key == "images_sent_to_write")
message.images_sent_to_write_count = GetCBORUInt(value);
else if (key == "max_receiver_delay")
message.max_receiver_delay = GetCBORUInt(value);
else if (key == "data_collection_efficiency")
message.efficiency = GetCBORFloat(value);
else if (key == "az_int_result")
ProcessRadIntResultElement(message, value);
else if (key == "adu_histogram")
ProcessADUHistogramElement(message, value);
else if (key == "adu_histogram_bin_width")
message.adu_histogram_bin_width = GetCBORUInt(value);
else if (key == "bkg_estimate")
message.bkg_estimate = GetCBORFloat(value);
else if (key == "spindle_blind_fraction")
message.spindle_blind_fraction = GetCBORFloat(value);
else if (key == "spindle_lost_unique_fraction")
message.spindle_lost_unique_fraction = GetCBORFloat(value);
else if (key == "indexing_rate")
message.indexing_rate = GetCBORFloat(value);
else if (key == "indexed_lattice_count")
GetCBORInt32Array(value, message.indexed_lattice_count);
else if (key == "data_collection_efficiency_image")
GetCBORFloatArray(value, message.data_collection_efficiency);
else if (key == "spot_count")
GetCBORInt32Array(value, message.spot_count);
else if (key == "spot_count_ice_ring")
GetCBORInt32Array(value, message.spot_count_ice_ring);
else if (key == "spot_count_low_res")
GetCBORInt32Array(value, message.spot_count_low_res);
else if (key == "spot_count_indexed")
GetCBORInt32Array(value, message.spot_count_indexed);
else if (key == "image_indexed")
GetCBORUInt8Array(value, message.image_indexed);
else if (key == "v_bkg_estimate")
GetCBORFloatArray(value, message.v_bkg_estimate);
else if (key == "v_spindle_blind_fraction")
GetCBORFloatArray(value, message.v_spindle_blind_fraction);
else if (key == "ice_ring_score")
GetCBORFloatArray(value, message.ice_ring_score);
else if (key == "spot_count_ice_control")
GetCBORFloatArray(value, message.spot_count_ice_control);
else if (key == "ice_ring_score_mean")
message.ice_ring_score_mean = GetCBORFloat(value);
else if (key == "profile_radius")
GetCBORFloatArray(value, message.profile_radius);
else if (key == "mosaicity")
GetCBORFloatArray(value, message.mosaicity);
else if (key == "bFactor")
GetCBORFloatArray(value, message.bFactor);
else if (key == "resolution_estimate")
GetCBORFloatArray(value, message.resolution_estimate);
else if (key == "min_viable_pixel_value")
GetCBORInt64Array(value, message.min_viable_pixel_value);
else if (key == "max_viable_pixel_value")
GetCBORInt64Array(value, message.max_viable_pixel_value);
else if (key == "saturated_pixel_count")
GetCBORInt32Array(value, message.saturated_pixel_count);
else if (key == "error_pixel_count")
GetCBORInt32Array(value, message.error_pixel_count);
else if (key == "image_scale_factor")
GetCBORFloatArray(value, message.image_scale_factor);
else if (key == "image_scale_cc")
GetCBORFloatArray(value, message.image_scale_cc);
else if (key == "image_scale_mosaicity")
GetCBORFloatArray(value, message.image_scale_mosaicity);
else if (key == "integrated_reflections")
GetCBORInt32Array(value, message.integrated_reflections);
else if (key == "niggli_class")
GetCBORUInt8Array(value, message.niggli_class);
else if (key == "unit_cell")
message.unit_cell = ProcessUnitCellElement(value);
else if (key == "space_group_name")
message.space_group_name = GetCBORString(value);
else if (key == "space_group_number")
message.space_group_number = GetCBORUInt(value);
else if (key == "pixel_sum")
GetCBORInt64Array(value, message.pixel_sum);
else if (key == "merged")
message.merged = ProcessMtzTableElement(value);
else if (key == "map_coefficients")
message.map_coefficients = ProcessMtzTableElement(value);
else if (key == "placed_model")
message.placed_model = ProcessPlacedModelElement(value);
else if (key == "rotation_lattice") {
std::vector<float> tmp;
GetCBORFloatArray(value, tmp);
message.rotation_lattice = CrystalLattice(tmp);
} else if (key == "rotation_lattice_type")
message.rotation_lattice_type = GetCBORLatticeMessage(value);
else if (key == "rotation_extra_lattices") {
size_t array_len = GetCBORArrayLen(value);
CborValue array_value;
cborErr(cbor_value_enter_container(&value, &array_value));
for (size_t i = 0; i < array_len; i++) {
std::vector<float> tmp;
GetCBORFloatArray(array_value, tmp);
if (tmp.size() == 9)
message.rotation_extra_lattices.emplace_back(tmp);
}
cborErr(cbor_value_leave_container(&value, &array_value));
} else {
// Skip a key this build does not know, so an older reader survives a newer sender.
// A tag takes two advances - the first lands ON the tagged item, not past it - and the
// typed arrays in this block are all tagged, so one advance would leave the parser
// sitting on the payload and the next key would be read as a string. Same as the image
// block above.
if (cbor_value_is_tag(&value))
cbor_value_advance(&value);
cbor_value_advance(&value);
}
return true;
} catch (const JFJochException &e) {
throw JFJochException(JFJochExceptionCategory::CBORError,
"Error processing end message, key " + key + ":" + e.what());
}
}
}
std::shared_ptr<CBORStream2DeserializerOutput> CBORStream2Deserialize(const uint8_t *msg, size_t msg_size) {
CborParser parser;
CborValue value;
cborErr(cbor_parser_init(msg, msg_size, 0, &parser, &value));
if (GetCBORTag(value) != CborSignatureTag)
throw JFJochException(JFJochExceptionCategory::CBORError, "CBOR must start with dedicated tag");
if (!cbor_value_is_map(&value))
throw JFJochException(JFJochExceptionCategory::CBORError, "Serialized frame must be map in top level");
auto ret = std::make_shared<CBORStream2DeserializerOutput>();
CborValue map_value;
cborErr(cbor_value_enter_container(&value, &map_value));
ret->msg_type = DecodeType(map_value);
switch (ret->msg_type) {
case CBORImageType::IMAGE:
ret->data_message = DataMessage();
while (ProcessDataMessageElement(*ret->data_message, map_value)) {}
break;
case CBORImageType::CALIBRATION: {
ret->calibration = CompressedImage();
while (ProcessCalibration(*ret->calibration, map_value)) {}
break;
}
case CBORImageType::START: {
ret->start_message = StartMessage();
while (ProcessStartMessageElement(*ret->start_message, map_value)) {}
break;
}
case CBORImageType::END:
ret->end_message = EndMessage();
while (ProcessEndMessageElement(*ret->end_message, map_value)) {}
break;
case CBORImageType::METADATA:
ret->metadata = MetadataMessage();
while (ProcessMetadataMessageElement(*ret->metadata, map_value)) {}
break;
case CBORImageType::NONE:
break;
}
cborErr(cbor_value_leave_container(&value, &map_value));
return ret;
}
std::shared_ptr<CBORStream2DeserializerOutput> CBORStream2Deserialize(const std::vector<uint8_t>& msg) {
return CBORStream2Deserialize(msg.data(), msg.size());
}
std::shared_ptr<CBORStream2DeserializerOutput> CBORStream2Deserialize(const std::string& msg) {
return CBORStream2Deserialize(reinterpret_cast<const uint8_t*>(msg.data()), msg.size());
}