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Jungfraujoch/tests/DiagnosticOutputTest.cpp
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leonarski_fandFilip Leonarski 19b135186d
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v1.0.0-rc.175 (#85)
* Rugnux: Processes a collection live while jfjoch_broker writes it (`rugnux <master.h5> <broker URL>`).
* Rugnux: Processing starts on the first images and confirms its choices once all are in, so analysis can begin during collection.
* Rugnux: Faster processing, especially on servers with several GPUs and CPU sockets and on computers without a GPU (`--no-gpu`, macOS).
* Rugnux: Uses much less GPU memory, so large data sets stay on the GPU of smaller cards, and a data set too large for the card is processed on the CPU instead.
* Rugnux: On macOS, Bragg integration runs on the Apple GPU.
* Rugnux: Better handling of twinning and pseudo-symmetry, with the twin hypothesis written as `<prefix>_twin_<SG>.mtz`, and a wrong `--model` no longer confirms the data or decides the hand.
* Rugnux: `--model` accepts predicted (AlphaFold) models and falls back to molecular replacement when the model is not placed as a rigid body (experimental `--mr` forces it), settling space group, hand and twinning and writing a different answer as `<prefix>_mr.mtz`.
* Rugnux: Molecular replacement is faster and settles the space group in more cases with several copies in the asymmetric unit.
* Rugnux: Deposition-ready mmCIF, a richer report, and numbered steps on the terminal with the full log in `<prefix>_log.txt`; `_P1.mtz`, `--estimate-beam-center` and `--beam-center-search` are removed.
* Rugnux: The beam-stop shadow is found correctly on tilted detectors.
* Rugnux: Stills files that record a stationary goniometer axis get the default stills geometry refinement.
* jfjoch_viewer: "Analyze dataset" uses the same defaults as a bare `rugnux <file>`, and shows the results of processed CBF, marCCD and SMV sweeps.
* jfjoch_viewer: The Files panel refreshes on F5 and every few seconds, and the plot type and other selections stay put during live collection.
* jfjoch_writer: Memory stays bounded and old data files are closed efficiently on long runs, any failure ends the run in an error state the broker is told about, and the master file appears only after its data files; the ZeroMQ pusher logs when a stalled writer makes it drop images.
* Fixes: The TCP image pusher no longer blocks the broker's receiver, GPU out-of-memory failures stop with a clear message, and the XDS plugin masks module and chip edges.

---------

Co-authored-by: Filip Leonarski <jungfrau@filips-mac-mini.home>
Reviewed-on: #85
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-10-16 15:34:43 +02:00

197 lines
8.0 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include <catch2/catch_test_macros.hpp>
#include <cmath>
#include <fstream>
#include <sstream>
#include "../rugnux/DiagnosticOutput.h"
#include "../image_analysis/scale_merge/Merge.h"
namespace {
bool same(const rgb &a, const rgb &b) {
return a.r == b.r && a.g == b.g && a.b == b.b;
}
// The columns of one row of <prefix>_plot.txt, whitespace-separated.
std::vector<std::string> Columns(const std::string &line) {
std::istringstream is(line);
std::vector<std::string> ret;
for (std::string token; is >> token;)
ret.push_back(token);
return ret;
}
std::vector<std::string> ReadLines(const std::string &path) {
std::ifstream f(path);
std::vector<std::string> ret;
for (std::string line; std::getline(f, line);)
ret.push_back(line);
return ret;
}
}
TEST_CASE("DiagnosticImage_Colors") {
ColorScale scale;
// One pixel of each kind, in the order the renderer tests them. Two measured pixels read zero,
// so the median is zero and the third one saturates.
std::vector<uint32_t> mask_bits{
0, // plain, no counts
0, // plain, no counts
0, // plain, the brightest pixel
1u << PixelMask::ModuleGapPixelBit,
1u << PixelMask::BeamStopPixelBit,
1u << PixelMask::UserMaskedPixelBit,
(1u << PixelMask::ModuleGapPixelBit) | (1u << PixelMask::BeamStopPixelBit),
(1u << PixelMask::BeamStopPixelBit) | (1u << PixelMask::NoisyPixelBit)};
const PixelMask mask(mask_bits);
const std::vector<float> projection{0.0f, 0.0f, 1000.0f, NAN, NAN, NAN, NAN, NAN};
const auto image = DetectorDiagnosticRGB(mask, projection);
REQUIRE(image.size() == mask_bits.size());
CHECK(same(image[0], scale.Apply(0.0f))); // white: no counts
CHECK(same(image[2], scale.Apply(1.0f))); // indigo: the saturation value
CHECK(same(image[3], scale.Apply(ColorScaleSpecial::Gap))); // grey
CHECK(same(image[4], scale.Apply(ColorScaleSpecial::BeamStop))); // coral
CHECK(same(image[5], scale.Apply(ColorScaleSpecial::BadPixel))); // magenta
// A gap cannot be shadowed - it carries no background for the detection to miss - so the gap
// wins; every other mask bit loses to the shadow, which is what the picture is there to show.
CHECK(same(image[6], scale.Apply(ColorScaleSpecial::Gap)));
CHECK(same(image[7], scale.Apply(ColorScaleSpecial::BeamStop)));
}
TEST_CASE("DiagnosticImage_Contrast") {
ColorScale scale;
// The ramp saturates at eight times the MEDIAN of the measured pixels - 128 here, so 1024 - so
// the background spans the ramp and the peak clips. Set from the brightest pixels instead, as
// the preview and the viewer set their contrast, the peak would take the whole range and this
// background would sit at the very bottom of the scale, a flat white: a missing background is
// what a shadow is read off, so that picture cannot be judged.
std::vector<uint32_t> mask_bits{0, 0, 0, 0, 0};
const PixelMask mask(mask_bits);
const std::vector<float> projection{0.0f, 128.0f, 128.0f, 1024.0f, 5000.0f};
const auto image = DetectorDiagnosticRGB(mask, projection);
const auto &lut = scale.LUTData();
REQUIRE(image.size() == projection.size());
CHECK(same(image[0], lut.front()));
CHECK(same(image[1], lut[lut.size() / 8]));
CHECK(same(image[2], lut[lut.size() / 8]));
CHECK(same(image[3], lut.back()));
// Clipped, and that costs nothing here - the spots are not what the picture is judged on.
CHECK(same(image[4], lut.back()));
}
TEST_CASE("DiagnosticPlot_Format") {
const std::string prefix = "diagnostic_plot_format_test";
PerImagePlot plot;
plot.bkg_estimate = {1.0f, 2.0f, 3.0f, 4.0f};
plot.resolution_A = {2.5f, 2.4f, NAN, 2.6f};
plot.spot_count = {100.0f, 120.0f, 0.0f, 90.0f};
plot.scale_g = {1.0f, 1.1f, NAN, 0.9f};
plot.mosaicity_deg = {0.12f, 0.12f, NAN, 0.13f};
plot.cc_to_merge = {0.98f, 0.97f, NAN, 0.5f};
plot.cc_n = {500, 480, 0, 120};
plot.frame_disposition = {static_cast<uint8_t>(FrameDisposition::Merged),
static_cast<uint8_t>(FrameDisposition::Downgraded),
static_cast<uint8_t>(FrameDisposition::Rejected),
static_cast<uint8_t>(FrameDisposition::Rejected)};
const GoniometerAxis goniometer("omega", 10.0f, 0.5f, {0, 1, 0}, {});
WritePerImagePlot(prefix, plot, goniometer, 4);
const auto lines = ReadLines(prefix + "_plot.txt");
REQUIRE(lines.size() == 5);
// Exactly one legend row, and it is a comment.
REQUIRE(lines[0][0] == '#');
for (size_t i = 1; i < lines.size(); i++)
CHECK(lines[i].find('#') == std::string::npos);
const auto legend = Columns(lines[0]);
REQUIRE(legend.size() == 11);
CHECK(legend[0] == "#image");
CHECK(legend[1] == "angle_deg");
CHECK(legend[6] == "sigma_M_deg");
CHECK(legend[8] == "cc_n");
CHECK(legend[9] == "merged");
CHECK(legend[10] == "disposition");
for (size_t i = 1; i < lines.size(); i++) {
const auto row = Columns(lines[i]);
REQUIRE(row.size() == legend.size());
CHECK(row[0] == std::to_string(i - 1));
}
// Mid-exposure angle: start + ordinal * increment + increment / 2.
CHECK(std::stof(Columns(lines[1])[1]) == 10.25f);
CHECK(std::stof(Columns(lines[3])[1]) == 11.25f);
// Merged and downgraded frames are in the merged data; a rejected one is not.
CHECK(Columns(lines[1])[9] == "1");
CHECK(Columns(lines[2])[9] == "1");
CHECK(Columns(lines[3])[9] == "0");
CHECK(Columns(lines[4])[9] == "0");
// Graded: merged 1, downgraded 0.5, rejected 0 - and a rejected frame that never got a scale
// never reached the merge, so nothing is known of it.
CHECK(Columns(lines[1])[10] == "1");
CHECK(Columns(lines[2])[10] == "0.5");
CHECK(Columns(lines[3])[10] == "nan");
CHECK(Columns(lines[4])[10] == "0");
// The count the correlation beside it was taken over.
CHECK(Columns(lines[1])[8] == "500");
// A frame nothing measured leaves its own columns unplottable, not the row missing.
CHECK(Columns(lines[3])[3] == "nan");
}
TEST_CASE("DiagnosticPlot_NoDisposition") {
const std::string prefix = "diagnostic_plot_nodisp_test";
// Without the sweep-quality diagnostic, a frame counts as merged when it was scaled at all.
PerImagePlot plot;
plot.scale_g = {1.0f, NAN, 0.8f};
WritePerImagePlot(prefix, plot, {}, 3);
const auto lines = ReadLines(prefix + "_plot.txt");
REQUIRE(lines.size() == 4);
CHECK(Columns(lines[1])[9] == "1");
CHECK(Columns(lines[2])[9] == "0");
CHECK(Columns(lines[3])[9] == "1");
CHECK(Columns(lines[1])[10] == "1");
CHECK(Columns(lines[2])[10] == "nan");
CHECK(Columns(lines[3])[10] == "1");
// No goniometer: the angle column is present and unplottable, so the columns never shift.
CHECK(Columns(lines[1]).size() == 11);
CHECK(Columns(lines[1])[1] == "nan");
}
TEST_CASE("DiagnosticPlot_NoMerge") {
const std::string prefix = "diagnostic_plot_nomerge_test";
// Nothing was merged - --no-merge, or a sweep nothing indexed on - so "merged" has no answer to
// give and must not read as a sweep every frame of which was thrown out.
PerImagePlot plot;
plot.bkg_estimate = {12.0f, 13.0f};
plot.scale_g = {NAN, NAN};
WritePerImagePlot(prefix, plot, {}, 2);
const auto lines = ReadLines(prefix + "_plot.txt");
REQUIRE(lines.size() == 3);
CHECK(Columns(lines[1])[9] == "nan");
CHECK(Columns(lines[2])[9] == "nan");
CHECK(Columns(lines[1])[10] == "nan");
// The columns a run without a merge still fills are there.
CHECK(std::stof(Columns(lines[1])[2]) == 12.0f);
}