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Jungfraujoch/tests/RugnuxLargeTest.cpp
leonarski_f 7f2ebd8209
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v1.0.0-rc.184 (#95)
* Rugnux: Rotation processing recovers most of the speed lost since 1.0.0-rc.180; live processing in jfjoch_broker finishes sooner.
* Rugnux: More reliable rotation processing and indexing, including small molecules and supercells.
* Rugnux: More robust serial data and model refinement; molecular replacement handles multi-chain models.
* jfjoch_broker (experimental): Live serial processing keeps the detector geometry fixed for the whole run.
* jfjoch_broker: Pixel sum without an FPGA, a mask bit for inactive pixels, and several stability fixes.
* jfjoch_broker: Rotation indexing and quick integration moved to rugnux live mode; their API settings are deprecated and ignored.
* jfjoch_broker, Rugnux: Azimuthal integration can use logarithmic (log10) Q bins or a given number of bins, set from the API, the web interface and the Rugnux command line.
* jfjoch_viewer: Build and display fixes; the README is rewritten.

Reviewed-on: #95
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-11-10 22:06:51 +01:00

188 lines
8.0 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
// End-to-end Rugnux runs over real JUNGFRAU datasets that are kept in git-LFS under
// tests/data. They are tagged [large] and SKIP() when the data is not present (e.g. LFS not
// pulled), so the default test run stays fast and CI without the data still passes.
#include <catch2/catch_all.hpp>
#include <catch2/reporters/catch_reporter_event_listener.hpp>
#include <catch2/reporters/catch_reporter_registrars.hpp>
#include <filesystem>
#include <fstream>
#include <iostream>
#include <iterator>
#include <thread>
#include "TestData.h"
#include "../common/DiffractionExperiment.h"
#include "../common/HostMemory.h"
#include "../common/IndexingSettings.h"
#include "../reader/JFJochHDF5Reader.h"
#include "../rugnux/Rugnux.h"
#include "../rugnux/RugnuxOutputFiles.h"
namespace {
// Start-up hook: report once whether the large datasets are available, so it is obvious why
// the [large] tests skip when they do.
class LargeDataListener : public Catch::EventListenerBase {
public:
using Catch::EventListenerBase::EventListenerBase;
void testRunStarting(Catch::TestRunInfo const &) override {
const bool rot = jfjoch_test::LargeDataFile("rotation_master.h5").has_value();
std::cout << "[jfjoch_test] large dataset in " << jfjoch_test::LargeDataDir()
<< ": rotation=" << (rot ? "yes" : "no")
<< " ([large] tests skip when absent)" << std::endl;
}
};
int default_threads() {
const unsigned hc = std::thread::hardware_concurrency();
return hc == 0 ? 4 : static_cast<int>(hc);
}
}
CATCH_REGISTER_LISTENER(LargeDataListener)
TEST_CASE("Rugnux_Rotation", "[large]") {
const auto master = jfjoch_test::LargeDataFile("rotation_master.h5");
if (!master)
SKIP("rotation_master.h5 not available (git-lfs data not pulled)");
RegisterHDF5Filter();
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile(*master));
auto dataset = reader.GetDataset();
REQUIRE(dataset);
DiffractionExperiment experiment(dataset->experiment);
IndexingSettings indexing;
indexing.Algorithm(IndexingAlgorithmEnum::Auto);
indexing.RotationIndexing(true);
indexing.GeomRefinementAlgorithm(GeomRefinementAlgorithmEnum::BeamCenter);
experiment.ImportIndexingSettings(indexing);
ProcessConfig config;
config.mode = ProcessMode::FullAnalysis;
config.nthreads = default_threads();
config.spot_finding = DiffractionExperiment::DefaultDataProcessingSettings();
config.spot_finding.indexing = true;
config.rotation_indexing = true;
Rugnux process(reader, experiment, *dataset->pixel_mask, config);
ProcessResult result;
REQUIRE_NOTHROW(result = process.Run());
CHECK_FALSE(result.cancelled);
CHECK(result.images_processed == reader.GetNumberOfImages());
REQUIRE(result.indexing_rate.has_value());
CHECK(result.indexing_rate.value() > 0.1f); // a real rotation series indexes well
CHECK(result.consensus_cell.has_value());
reader.Close();
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
// A rotation run reuses what its first pass found - an indexing probe's validation evidence, each
// frame's spot list, the rotation indexer's outcome - wherever it asks the same question again: in the
// rotation-scale walk's probes and in the canonical pass after them. verify_first_pass_memo recomputes
// at every one of those hits instead and throws where the recomputation differs, so this run passing
// is the check that the reuse is exact. The geometry post-refinement and the scaling it runs inside
// are on because they are what starts the walk.
TEST_CASE("Rugnux_FirstPassMemoMatchesRecomputation", "[large]") {
const auto master = jfjoch_test::LargeDataFile("rotation_master.h5");
if (!master)
SKIP("rotation_master.h5 not available (git-lfs data not pulled)");
RegisterHDF5Filter();
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile(*master));
auto dataset = reader.GetDataset();
REQUIRE(dataset);
DiffractionExperiment experiment(dataset->experiment);
IndexingSettings indexing;
indexing.Algorithm(IndexingAlgorithmEnum::Auto);
indexing.RotationIndexing(true);
experiment.ImportIndexingSettings(indexing);
ProcessConfig config;
config.mode = ProcessMode::FullAnalysis;
config.nthreads = default_threads();
config.spot_finding = DiffractionExperiment::DefaultDataProcessingSettings();
config.spot_finding.indexing = true;
config.rotation_indexing = true;
config.rotation_postrefine_geometry = true;
config.run_scaling = true;
config.verify_first_pass_memo = true;
Rugnux process(reader, experiment, *dataset->pixel_mask, config);
ProcessResult result;
REQUIRE_NOTHROW(result = process.Run());
CHECK(result.consensus_cell.has_value());
reader.Close();
}
// The host memory budget decides only what runs side by side - the quality guard's merge beside the
// ingest, the post-refinement beside the merge chain, the two search merges beside each other, how many
// large per-worker buffers are held at once - and never what is computed. So a run planned against a
// budget nothing fits in (everything in series) writes what a run with room for everything writes, to
// the byte.
TEST_CASE("Rugnux_HostBudgetChangesOnlyTheSchedule", "[large]") {
const auto master = jfjoch_test::LargeDataFile("rotation_master.h5");
if (!master)
SKIP("rotation_master.h5 not available (git-lfs data not pulled)");
RegisterHDF5Filter();
const auto slurp = [](const std::string &path) {
std::ifstream f(path, std::ios::binary);
return std::string(std::istreambuf_iterator<char>(f), std::istreambuf_iterator<char>());
};
const auto run = [&](size_t budget, const std::string &prefix) {
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile(*master));
auto dataset = reader.GetDataset();
REQUIRE(dataset);
DiffractionExperiment experiment(dataset->experiment);
IndexingSettings indexing;
indexing.Algorithm(IndexingAlgorithmEnum::Auto);
indexing.RotationIndexing(true);
experiment.ImportIndexingSettings(indexing);
ProcessConfig config;
config.mode = ProcessMode::FullAnalysis;
config.nthreads = default_threads();
config.spot_finding = DiffractionExperiment::DefaultDataProcessingSettings();
config.spot_finding.indexing = true;
config.rotation_indexing = true;
config.rotation_postrefine_geometry = true;
config.run_scaling = true;
config.host_memory_budget_bytes = budget;
Rugnux process(reader, experiment, *dataset->pixel_mask, config);
ProcessResult result;
REQUIRE_NOTHROW(result = process.Run());
reader.Close();
// The library writes nothing: the files are the CLI's, written from the result
Logger logger("Rugnux_HostBudgetChangesOnlyTheSchedule");
WriteRugnuxOutputs(result, prefix, config.provenance, config.nthreads, logger);
return result;
};
const std::filesystem::path dir = std::filesystem::temp_directory_path() / "rugnux_host_budget_test";
std::filesystem::create_directories(dir);
const ProcessResult roomy = run(size_t(1) << 40, (dir / "roomy").string());
const ProcessResult tight = run(size_t(1) << 20, (dir / "tight").string());
REQUIRE(roomy.has_merge_statistics);
CHECK(tight.merge_statistics_text == roomy.merge_statistics_text);
CHECK(tight.merged_i_sigma == roomy.merged_i_sigma);
const std::string hkl = slurp((dir / "roomy.hkl").string());
CHECK_FALSE(hkl.empty());
CHECK(slurp((dir / "tight.hkl").string()) == hkl);
std::filesystem::remove_all(dir);
HostWorkerPool::Instance().SetSize(0); // process-wide: back to the machine's for the tests after this one
HostWorkerPool::Instance().SetBudget(0);
}