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* `rugnux --mode calibration` writes `<prefix>.json` beside the `.poni`, whose `dataset_settings` member is a `jfjoch_broker` `dataset_settings` body as it stands. * `rugnux` and `jfjoch_viewer` read PILATUS miniCBF sweeps natively, without conversion. * Masters written by other facilities open, including Eiger 1.x and third-party NXmx variants. * `rugnux` measures the beam centre on every run, and indexes with it when the file's value indexes nothing. * A detector swung out on a 2theta arm is placed where the file says it stands, and the calibration can hold the tilt fixed. * `rugnux` writes the unmerged MTZ by default, and a P1 merge beside it, so a wrong space group can be re-merged without reprocessing. * Significant improvements to symmetry handling in `rugnux`: the lattice, the point group, the setting and the systematic absences. * The `rugnux` report gives the resolution the CC1/2 fit reached, beside the range the reflections were written to. * The `rugnux` report gives the twinning statistics measured before the space group was decided, beside the ones measured after. * The `rugnux` report gives the strong-direction diffraction limit, and warns when CC1/2 is not monotone with resolution. * `rugnux` ranks screw axes on the evidence their absences carry, rather than on how many control reflections a candidate happens to have. * Twinning is no longer reported when the L-test contradicts it. * The `rugnux` report gives the detector tilt, the measured tilt and the direct beam beside the beam centre, and a post-refined beam centre is judged against the run's own measurement rather than the file's. * `--no-refine-tilt` holds the detector tilt at the value in the file, instead of zeroing it, when the calibration starts from the spots. * The `jfjoch_viewer` grid scan view draws the cells in the proportion of the scan steps, so the map has the shape of the scanned area. Reviewed-on: #76 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
178 lines
6.9 KiB
C++
178 lines
6.9 KiB
C++
// SPDX-FileCopyrightText: 2026 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 "HDF5ImageSource.h"
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#include "../common/JFJochException.h"
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#ifdef _WIN32
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#include <windows.h>
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#else
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#include <fcntl.h>
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#include <unistd.h>
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#endif
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// Positional reads: pread() on POSIX, ReadFile() with an OVERLAPPED offset on Windows. Both take the
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// offset as an argument instead of moving a shared file position, which is what lets every worker
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// thread read through one handle at the same time.
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HDF5ImageSource::RawFile::RawFile(const std::string &path) {
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#ifdef _WIN32
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HANDLE h = CreateFileA(path.c_str(), GENERIC_READ, FILE_SHARE_READ | FILE_SHARE_WRITE, nullptr,
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OPEN_EXISTING, FILE_ATTRIBUTE_NORMAL, nullptr);
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handle_ = (h == INVALID_HANDLE_VALUE) ? -1 : reinterpret_cast<intptr_t>(h);
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#else
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handle_ = ::open(path.c_str(), O_RDONLY);
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#endif
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}
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HDF5ImageSource::RawFile::~RawFile() {
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if (handle_ == -1)
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return;
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#ifdef _WIN32
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CloseHandle(reinterpret_cast<HANDLE>(handle_));
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#else
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::close(static_cast<int>(handle_));
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#endif
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}
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void HDF5ImageSource::RawFile::ReadAt(void *dst, size_t size, uint64_t address) const {
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auto *out = static_cast<uint8_t *>(dst);
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size_t done = 0;
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while (done < size) {
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#ifdef _WIN32
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OVERLAPPED ov{};
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ov.Offset = static_cast<DWORD>((address + done) & 0xFFFFFFFFULL);
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ov.OffsetHigh = static_cast<DWORD>((address + done) >> 32);
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DWORD got = 0;
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const bool ok = ReadFile(reinterpret_cast<HANDLE>(handle_), out + done,
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static_cast<DWORD>(size - done), &got, &ov);
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const long long n = ok ? static_cast<long long>(got) : -1;
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#else
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const long long n = ::pread(static_cast<int>(handle_), out + done, size - done, address + done);
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#endif
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if (n <= 0)
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throw JFJochException(JFJochExceptionCategory::HDF5, "Error reading image chunk from file");
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done += static_cast<size_t>(n);
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}
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}
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void HDF5ImageSource::Configure(HDF5ImageLocator::Layout layout) {
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dataset_cache_.clear();
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locator_.Configure(std::move(layout));
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}
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void HDF5ImageSource::Clear() {
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dataset_cache_.clear();
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locator_.Clear();
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}
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HDF5ImageLocator::Location HDF5ImageSource::Resolve(int64_t global) const {
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return locator_.Resolve(global);
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}
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StoredPixelFormat HDF5ImageSource::GetStoredPixelFormat() const {
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auto loc = locator_.Resolve(0);
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HDF5DataSet dataset(*loc.file, loc.dataset);
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HDF5DataType datatype(dataset);
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return {static_cast<int64_t>(datatype.GetElemSize()) * 8, datatype.IsSigned()};
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}
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std::vector<HDF5DataSourceMessage> HDF5ImageSource::GetSourceMapping(uint64_t first_image,
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std::optional<uint64_t> image_count,
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uint64_t total_images,
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uint64_t stride) const {
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return locator_.GetSourceMapping(first_image, image_count, total_images, stride);
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}
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const HDF5ImageSource::OpenDataset &
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HDF5ImageSource::GetDataset(const HDF5ImageLocator::Location &loc) const {
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auto key = std::make_pair(loc.file.get(), loc.dataset);
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if (auto it = dataset_cache_.find(key); it != dataset_cache_.end())
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return it->second;
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OpenDataset entry;
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entry.file = loc.file;
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entry.dataset = std::make_unique<HDF5DataSet>(*loc.file, loc.dataset);
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HDF5DataSpace dataspace(*entry.dataset);
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HDF5DataType datatype(*entry.dataset);
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HDF5Dcpl dcpl(*entry.dataset);
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if (dataspace.GetNumOfDimensions() != 3)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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loc.dataset + " dataset must be 3D");
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if (datatype.IsFloat())
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Float datasets not supported at this time");
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auto dim = dataspace.GetDimensions();
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entry.height = dim[1];
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entry.width = dim[2];
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entry.mode = CalcImageMode(datatype.GetElemSize(), datatype.IsFloat(), datatype.IsSigned());
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auto chunk_size = dcpl.GetChunking();
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entry.direct_chunk = (chunk_size.size() == 3) && (chunk_size[0] == 1)
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&& (chunk_size[1] == dim[1]) && (chunk_size[2] == dim[2]);
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if (entry.direct_chunk)
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entry.algorithm = dcpl.GetCompression();
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if (entry.direct_chunk) {
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// A positional read needs the file the PIXELS are in, and that is not always the file that
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// was opened: a dataset reached through an external link lives elsewhere, and a chunk
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// address is an offset into ITS file - as is the user block the address counts from. Ask
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// HDF5 which file the dataset ended up in rather than assuming it is the one we asked.
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std::string path = loc.path;
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const hid_t owner = H5Iget_file_id(entry.dataset->GetID());
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if (owner >= 0) {
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const ssize_t name_size = H5Fget_name(owner, nullptr, 0);
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if (name_size > 0) {
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std::string name(static_cast<size_t>(name_size), '\0');
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if (H5Fget_name(owner, name.data(), name.size() + 1) >= 0)
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path = name;
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}
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const hid_t fcpl = H5Fget_create_plist(owner);
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if (fcpl >= 0) {
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hsize_t user_block = 0;
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if (H5Pget_userblock(fcpl, &user_block) >= 0)
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entry.user_block = user_block;
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H5Pclose(fcpl);
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}
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H5Fclose(owner);
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}
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if (!path.empty()) {
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entry.raw = std::make_shared<RawFile>(path);
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if (!entry.raw->IsOpen())
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entry.raw.reset();
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}
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}
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return dataset_cache_.emplace(std::move(key), std::move(entry)).first->second;
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}
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std::optional<HDF5ImageSource::DirectChunk>
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HDF5ImageSource::PrepareDirectRead(const HDF5ImageLocator::Location &loc) const {
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const auto &ds = GetDataset(loc);
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if (!ds.raw)
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return {};
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const hsize_t coord[3] = {static_cast<hsize_t>(loc.local_index), 0, 0};
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unsigned filter_mask = 0;
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haddr_t address = HADDR_UNDEF;
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hsize_t size = 0;
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if (H5Dget_chunk_info_by_coord(ds.dataset->GetID(), coord, &filter_mask, &address, &size) < 0)
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return {};
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// A chunk nobody ever wrote has no address and no bytes; only HDF5 knows it reads as the fill
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// value, so hand those back to it.
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if (address == HADDR_UNDEF || size == 0)
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return {};
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return DirectChunk{ds.raw, ds.user_block + address, static_cast<uint32_t>(size),
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ds.width, ds.height, ds.mode, ds.algorithm};
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}
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CompressedImage HDF5ImageSource::ReadDirect(RawByteBuffer &buffer, const DirectChunk &chunk) {
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buffer.resize(chunk.size);
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chunk.file->ReadAt(buffer.data(), chunk.size, chunk.address);
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return {buffer.data(), buffer.size(), chunk.width, chunk.height, chunk.mode, chunk.algorithm};
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}
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