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Jungfraujoch/tests/CrystFELGeometryTest.cpp
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v1.0.0-rc.178 (#88)
* Rugnux: Processes serial crystallography data from XFELs - SACLA (MPCCD), PAL-XFEL and European XFEL (CXI), LCLS (XTC) and SwissFEL Alvra (JUNGFRAU with a CrystFEL module geometry) - with several files or Jungfraujoch master files merged in one run (`rugnux *_master.h5`).
* Rugnux: Stills processing takes a known unit cell and space group as a starting point, finds the beam centre (and, with a cell, the detector distance) from the images, detects the saturation level in other facilities' files and refines the placement of individual detector panels.
* Rugnux: The stills report gives R_split and CC1/2 from frame half-sets, comparable with CrystFEL.
* jfjoch_viewer: Opens the same XFEL file formats.
* Validation: A stills battery checks Rugnux against deposited structures from SACLA, PAL-XFEL, LCLS, European XFEL and SwissFEL.
* Rugnux: More reliable convergence of rotation scaling, and live molecular replacement starts as soon as the model is uploaded.
* jfjoch_broker: Initialize clears the previous dataset's bearer tokens, image buffer and live Rugnux status, and a slow CUDA JIT cache is reported at start.

Reviewed-on: #88
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-10-21 11:20:01 +02:00

145 lines
5.1 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include <catch2/catch_all.hpp>
#include <algorithm>
#include <filesystem>
#include <fstream>
#include "../reader/CrystFELGeometry.h"
namespace {
std::string WriteGeom(const std::string &name, const std::string &text) {
const auto path = (std::filesystem::temp_directory_path() / name).string();
std::ofstream(path) << text;
return path;
}
} // namespace
TEST_CASE("CrystFELGeometry_OldSyntax", "[CrystFELGeometry][portable]") {
// One panel and whole-frame bad strips, global keys only: the old syntax.
std::vector<std::string> ignored;
const auto geom = crystfel::Read("../../tests/crystfel/jf4m.geom", ignored);
REQUIRE(geom.panels.size() == 1);
CHECK(geom.panels[0].res == Catch::Approx(13333.3));
CHECK(geom.panels[0].clen->path.empty());
CHECK(geom.panels[0].clen->value == Catch::Approx(0.075));
CHECK(geom.data == "/entry/data/data");
// Only the module geometry is read: gain, photon energy, value flags and bad regions are ignored.
CHECK(!geom.panels[0].adu_per_photon.has_value());
CHECK(!geom.photon_energy.has_value());
CHECK(!geom.flag_lessthan.has_value());
CHECK(geom.bad.empty());
CHECK(std::find(ignored.begin(), ignored.end(), "photon_energy") != ignored.end());
}
TEST_CASE("CrystFELGeometry_Panels", "[CrystFELGeometry][portable]") {
const auto path = WriteGeom("jfjoch_crystfel_geometry_test.geom", R"(
clen = /LCLS/detector_1/EncoderValue ; read from the file
res = 20000
adu_per_eV = 0.001 ; per eV
data = /%/data
photon_energy = /%/photon_energy_ev
mask = /data/data
mask_file = mask.h5
mask_good = 0x0
mask_bad = 0x1
q1/min_fs = 0
q1/max_fs = 511
q1/min_ss = 0
q1/max_ss = 1023
q1/fs = +0.000390x -1.000000y
q1/ss = +1.000000x +0.000390y
q1/corner_x = 25.5
q1/corner_y = 1040.25
q1/coffset = 0.000067
q2/min_ss = 1024
q2/max_ss = 2047
q2/max_fs = 511
q2/fs = -x
q2/ss = y
q2/adu_per_photon = 9.5
badq1/min_fs = 0
badq1/max_fs = 4
badq1/min_ss = 0
badq1/max_ss = 1023
badq1/panel = q1
badbox/min_x = -10
badbox/max_x = 10
badbox/min_y = -5
badbox/max_y = 5
)");
std::vector<std::string> ignored;
const auto geom = crystfel::Read(path, ignored);
REQUIRE(geom.panels.size() == 2);
const auto &q1 = geom.panels[0];
CHECK(q1.name == "q1");
CHECK(q1.clen->path == "/LCLS/detector_1/EncoderValue");
CHECK(q1.clen->scale == Catch::Approx(1e-3));
CHECK(q1.coffset == Catch::Approx(0.000067));
CHECK(!q1.adu_per_eV.has_value());
CHECK(q1.fs_x == Catch::Approx(0.00039));
CHECK(q1.fs_y == Catch::Approx(-1.0));
CHECK(q1.ss_x == Catch::Approx(1.0));
CHECK(q1.ss_y == Catch::Approx(0.00039));
CHECK(q1.corner_y == Catch::Approx(1040.25));
CHECK(q1.max_ss == 1023);
const auto &q2 = geom.panels[1];
CHECK(q2.fs_x == Catch::Approx(-1.0));
CHECK(q2.fs_y == Catch::Approx(0.0));
CHECK(q2.ss_y == Catch::Approx(1.0));
CHECK(q2.min_ss == 1024);
CHECK(!q2.adu_per_photon.has_value());
CHECK(q2.res == Catch::Approx(20000));
CHECK(geom.data == "/%/data");
CHECK(geom.masks.empty());
CHECK(geom.bad.empty());
for (const std::string key: {"adu_per_eV", "photon_energy", "mask", "mask_file", "mask_good", "mask_bad",
"q2/adu_per_photon", "badq1/min_fs", "badbox/max_y"})
CHECK(std::find(ignored.begin(), ignored.end(), key) != ignored.end());
std::filesystem::remove(path);
}
TEST_CASE("CrystFELGeometry_UnitsAndRefusals", "[CrystFELGeometry][portable]") {
std::vector<std::string> ignored;
const auto path = WriteGeom("jfjoch_crystfel_geometry_units.geom", R"(
clen = 70.5 mm
photon_energy = 9.3 keV
res = 10000
mask0_data = /entry/mask
mask0_badbits = 0x6
p0/min_fs = 0
p0/max_fs = 99
p0/min_ss = 0
p0/max_ss = 99
p0/mask_edge_pixels = 2
p0/no_index = false
some_new_keyword = 1
)");
const auto geom = crystfel::Read(path, ignored);
CHECK(geom.panels[0].clen->value == Catch::Approx(0.0705));
CHECK(!geom.photon_energy.has_value());
CHECK(geom.masks.empty());
CHECK(std::find(ignored.begin(), ignored.end(), "some_new_keyword") != ignored.end());
CHECK(std::find(ignored.begin(), ignored.end(), "p0/mask_edge_pixels") != ignored.end());
// A camera length is optional.
const auto no_clen = WriteGeom("jfjoch_crystfel_geometry_noclen.geom",
"res = 10000\np0/min_fs = 0\np0/max_fs = 9\np0/min_ss = 0\np0/max_ss = 9\n");
CHECK(!crystfel::Read(no_clen, ignored).panels[0].clen.has_value());
std::filesystem::remove(no_clen);
for (const std::string bad: {"p0/fs = +1.0x +0.1z", "dim1 = 0", "p0/data = /other", "detector_shift_x = /x"}) {
const auto p = WriteGeom("jfjoch_crystfel_geometry_refused.geom",
"clen = 0.1\nres = 10000\nphoton_energy = 9000\np0/min_fs = 0\np0/max_fs = 9\n"
"p0/min_ss = 0\np0/max_ss = 9\n" + bad + "\n");
CHECK_THROWS(crystfel::Read(p, ignored));
std::filesystem::remove(p);
}
std::filesystem::remove(path);
}