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Jungfraujoch/reader/NXmxModules.cpp
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leonarski_f afbe844b20
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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

69 lines
2.9 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include "NXmxModules.h"
#include <cmath>
#include "../common/JFJochException.h"
namespace {
// A translation dataset as a vector in pixels of the internal frame (x = column, y = row, z = beam).
Coord ReadTranslation_px(HDF5Object &file, const std::string &path, double pixel_size_m, const RotMatrix &delta) {
HDF5DataSet ds(file, path);
std::vector<double> value;
ds.ReadVector(value);
const auto vec = ds.ReadAttrVec("vector");
if (value.empty() || vec.size() != 3)
throw JFJochException(JFJochExceptionCategory::HDF5, path + ": not a translation");
double scale = 1.0;
if (ds.AttrExists("units")) {
const std::string units = ds.ReadAttrStr("units");
if (units == "mm")
scale = 1e-3;
else if (units == "um" || units == "microns")
scale = 1e-6;
}
const double len_px = value[0] * scale / pixel_size_m;
// McStas -> internal is a half turn about z; the discrete image orientation is undone after it.
const Coord mcstas(static_cast<float>(-vec[0]), static_cast<float>(-vec[1]), static_cast<float>(vec[2]));
return delta.transpose() * (static_cast<float>(len_px) * mcstas);
}
} // namespace
DetectorModules ReadNXmxModules(HDF5Object &file, double pixel_size_m, const DetectorOrientation &orientation) {
const RotMatrix delta = orientation.Matrix();
std::vector<DetectorModule> out;
for (size_t n = 0;; n++) {
const std::string base = "/entry/instrument/detector/module_" + std::to_string(n) + "/";
if (!file.Exists(base + "data_origin"))
break;
const auto origin = file.ReadVector<int64_t>(base + "data_origin");
const auto size = file.ReadVector<int64_t>(base + "data_size");
if (origin.size() != 2 || size.size() != 2)
throw JFJochException(JFJochExceptionCategory::HDF5, base + ": only two-dimensional modules are read");
const Coord o = ReadTranslation_px(file, base + "module_offset", pixel_size_m, delta);
const Coord f = ReadTranslation_px(file, base + "fast_pixel_direction", pixel_size_m, delta);
const Coord s = ReadTranslation_px(file, base + "slow_pixel_direction", pixel_size_m, delta);
if (std::fabs(o.z) > 1e-3 || std::fabs(f.z) > 1e-6 || std::fabs(s.z) > 1e-6)
throw JFJochException(JFJochExceptionCategory::HDF5, base + ": a module out of the detector plane is not read");
DetectorModule m;
m.y0 = origin[0];
m.x0 = origin[1];
m.height = size[0];
m.width = size[1];
m.ox = o.x;
m.oy = o.y;
m.fx = f.x;
m.fy = f.y;
m.sx = s.x;
m.sy = s.y;
out.push_back(m);
}
if (out.size() < 2)
return {};
return DetectorModules(out);
}