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Jungfraujoch/common/AzimuthalIntegrationMapping.cpp
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leonarski_f b00c668e3a
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v1.0.0-rc.179 (#90)
* Rugnux: Stills processing needs only the unit cell and space group beyond what the file records - detector distance, beam centre, tilt, panel placement, saturation level, gain and polarisation plane are found from the images - and is up to twice as fast.
* Rugnux: Stills can be indexed without a GPU, with a CPU implementation of the fast-feedback indexer (macOS, computers without a GPU).
* Rugnux: Rotation and stills data are integrated in the detector's own units with one gain model, improving data from CCD detectors.
* Web frontend: The Rugnux live page shows the placed model with its electron density and anomalous difference map in a Mol* viewer.

Reviewed-on: #90
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-10-24 14:52:29 +02:00

346 lines
14 KiB
C++

// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include "JFJochMath.h"
#include <algorithm>
#include <bit>
#include <cmath>
#include <thread>
#include <future>
#include "AzimuthalIntegrationMapping.h"
#include "JFJochException.h"
#include "DiffractionGeometry.h"
#include "RawToConvertedGeometry.h"
#include "TableChecksum.h"
#include "ParallelFor.h"
#include "PanelRows.h"
AzimuthalIntegrationMapping::AzimuthalIntegrationMapping(const DiffractionExperiment &experiment,
const PixelMask &mask,
size_t in_nthreads)
: AzimuthalIntegrationMapping(experiment, mask, nullptr, in_nthreads) {}
AzimuthalIntegrationMapping::AzimuthalIntegrationMapping(const DiffractionExperiment &experiment,
const PixelMask &mask,
AzimuthalIntegrationGeometryCache &cache,
size_t in_nthreads)
: AzimuthalIntegrationMapping(experiment, mask, &cache, in_nthreads) {}
AzimuthalIntegrationMapping::AzimuthalIntegrationMapping(const DiffractionExperiment &experiment,
const PixelMask& mask,
AzimuthalIntegrationGeometryCache *cache,
size_t in_nthreads)
: settings(experiment.GetAzimuthalIntegrationSettings()),
wavelength(experiment.GetWavelength_A()),
// The dimensions of the image this mapping is built for: converted when the geometry is
// transformed, raw when it is not. They have to match pixel_to_bin, which is sized per mode
// below - the adaptive spot finders walk the image with these and index pixel_to_bin with it.
width(experiment.GetXPixelsNum()),
height(experiment.GetYPixelsNum()),
modules(experiment.GetModules()) {
if (width <= 0)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"Detector width must be above 0");
if (height <= 0)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"Detector height must be above 0");
if (settings.GetBinCount() >= UINT16_MAX)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"Cannot handle more than 65534 az. int. bins");
polarization_factor = experiment.GetPolarizationFactor();
if (in_nthreads == 0)
nthreads = AvailableCpus();
else
nthreads = in_nthreads;
nthreads = std::clamp<size_t>(nthreads, 1, 64);
if (!experiment.IsGeometryTransformed())
SetupRawGeom(experiment, mask.GetMaskRaw());
else if (cache)
SetupConvGeomCached(experiment.GetDiffractionGeometry(), mask.GetMask(), *cache);
else
SetupConvGeom(experiment.GetDiffractionGeometry(), &mask.GetMask());
UpdateMaxBinNumber();
pixel_to_bin_checksum = TableChecksum(pixel_to_bin.data(), pixel_to_bin.size() * sizeof(uint16_t));
corrections_checksum = TableChecksum(corrections.data(), corrections.size() * sizeof(float));
}
void AzimuthalIntegrationMapping::SetupConvGeomRows(const DiffractionGeometry &geom, const std::vector<uint32_t> *mask,
size_t row0, size_t row_end) {
// Each pixel at its place on the plane. A pixel on no panel keeps what a masked one has.
ForEachPixelInRows(modules, static_cast<int64_t>(width), static_cast<int64_t>(row0),
static_cast<int64_t>(std::min(row_end, height)),
[&](int64_t, size_t pxl, double px, double py) {
SetupPixel(geom, mask, static_cast<uint32_t>(pxl), static_cast<float>(px),
static_cast<float>(py));
});
}
void AzimuthalIntegrationMapping::SetupConvGeom(const DiffractionGeometry &geom, const std::vector<uint32_t> *mask) {
pixel_to_bin.resize(width * height, UINT16_MAX);
pixel_resolution.resize(width * height, 0);
corrections.resize(width * height, 0);
if (mask && mask->size() != width * height)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid, "Mask size invalid");
if (nthreads <= 1) {
SetupConvGeomRows(geom, mask, 0, height);
} else {
auto local_nthreads = std::min(nthreads, height);
std::vector<std::future<void>> futures;
futures.reserve(local_nthreads);
for (size_t t = 0; t < local_nthreads; ++t)
futures.emplace_back(std::async(std::launch::async,
&AzimuthalIntegrationMapping::SetupConvGeomRows,
this, std::cref(geom), mask,
t * height / local_nthreads,
(t + 1) * height / local_nthreads));
for (auto &f: futures)
f.get();
}
}
void AzimuthalIntegrationMapping::SetupConvGeomCached(const DiffractionGeometry &geom,
const std::vector<uint32_t> &mask,
AzimuthalIntegrationGeometryCache &cache) {
if (mask.size() != width * height)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid, "Mask size invalid");
// Everything SetupPixel reads, compared bit for bit.
std::vector<uint32_t> key;
for (const float f: {geom.GetBeamX_pxl(), geom.GetBeamY_pxl(), geom.GetDetectorDistance_mm(),
geom.GetPixelSize_mm(), geom.GetWavelength_A(),
settings.GetLowQ_recipA(), settings.GetHighQ_recipA(), settings.GetQSpacing_recipA(),
polarization_factor.value_or(0.0f)})
key.push_back(std::bit_cast<uint32_t>(f));
for (const float f: geom.GetDetectorMatrix().arr())
key.push_back(std::bit_cast<uint32_t>(f));
key.insert(key.end(), {static_cast<uint32_t>(settings.GetAzimuthalBinCount()),
static_cast<uint32_t>(settings.IsSolidAngleCorrection()),
static_cast<uint32_t>(settings.IsPolarizationCorrection()),
static_cast<uint32_t>(polarization_factor.has_value()),
static_cast<uint32_t>(width), static_cast<uint32_t>(height)});
// The panel table: the same geometry places the pixels elsewhere when a panel has moved.
for (const auto &m: modules.Get()) {
for (const int64_t i: {m.x0, m.y0, m.width, m.height})
key.push_back(static_cast<uint32_t>(i));
for (const double d: {m.ox, m.oy, m.fx, m.fy, m.sx, m.sy}) {
const auto bits = std::bit_cast<uint64_t>(d);
key.insert(key.end(), {static_cast<uint32_t>(bits), static_cast<uint32_t>(bits >> 32)});
}
}
std::lock_guard lock(cache.m);
auto &entries = cache.entries;
auto it = std::find_if(entries.begin(), entries.end(), [&](const auto &e) { return e.key == key; });
if (it == entries.end()) {
SetupConvGeom(geom, nullptr);
if (entries.size() == AzimuthalIntegrationGeometryCache::MAX_ENTRIES)
entries.erase(entries.begin());
entries.push_back({key, pixel_to_bin, pixel_resolution, corrections});
} else {
std::rotate(it, it + 1, entries.end());
pixel_to_bin = entries.back().pixel_to_bin;
pixel_resolution = entries.back().pixel_resolution;
corrections = entries.back().corrections;
}
// What SetupPixel leaves at a masked pixel.
ParallelChunks(static_cast<int>(mask.size()), nthreads, [&](int lo, int hi) {
for (int i = lo; i < hi; i++)
if (mask[i] != 0) {
pixel_to_bin[i] = UINT16_MAX;
pixel_resolution[i] = 0;
corrections[i] = 0;
}
});
}
void AzimuthalIntegrationMapping::SetupRawGeom(const DiffractionExperiment &experiment,
const std::vector<uint32_t> &mask) {
if (mask.size() != RAW_MODULE_SIZE * experiment.GetModulesNum())
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid, "Mask size invalid");
pixel_to_bin.resize(RAW_MODULE_SIZE * experiment.GetModulesNum(), UINT16_MAX);
pixel_resolution.resize(RAW_MODULE_SIZE * experiment.GetModulesNum(), 0);
corrections.resize(RAW_MODULE_SIZE * experiment.GetModulesNum(), 0);
auto geom = experiment.GetDiffractionGeometry();
if (nthreads <= 1) {
for (int m = 0; m < experiment.GetModulesNum(); m++) {
for (int pxl = 0; pxl < RAW_MODULE_SIZE; pxl++) {
auto [x,y] = RawToConvertedCoordinate(experiment, m, pxl);
SetupPixel(geom, &mask, m * RAW_MODULE_SIZE + pxl, static_cast<float>(x), static_cast<float>(y));
}
}
} else {
auto local_nthreads = std::min<size_t>(nthreads, experiment.GetModulesNum());
std::vector<std::future<void>> futures;
futures.reserve(local_nthreads);
for (size_t t = 0; t < local_nthreads; ++t) {
const size_t module_begin = t * experiment.GetModulesNum() / local_nthreads;
const size_t module_end = (t + 1) * experiment.GetModulesNum() / local_nthreads;
futures.emplace_back(std::async(std::launch::async, [&, module_begin, module_end] {
for (size_t m = module_begin; m < module_end; ++m) {
for (int pxl = 0; pxl < RAW_MODULE_SIZE; ++pxl) {
auto [x, y] = RawToConvertedCoordinate(experiment, m, pxl);
SetupPixel(geom, &mask, m * RAW_MODULE_SIZE + pxl, static_cast<float>(x), static_cast<float>(y));
}
}
}));
}
for (auto &f: futures)
f.get();
}
}
void AzimuthalIntegrationMapping::SetupPixel(const DiffractionGeometry &geom,
const std::vector<uint32_t> *mask,
uint32_t pxl, float x, float y) {
if (mask && (*mask)[pxl] != 0)
return;
float d = geom.PxlToRes(x, y);
float phi_rad = geom.Phi_rad(x, y);
pixel_resolution[pxl] = d;
float corr = 1.0;
if (settings.IsSolidAngleCorrection())
corr /= geom.CalcAzIntSolidAngleCorr(x, y);
if (settings.IsPolarizationCorrection() && polarization_factor)
corr /= geom.CalcAzIntPolarizationCorr(x, y, polarization_factor.value());
corrections[pxl] = corr;
if (d > 0) {
float q = 2.0f * static_cast<float>(PI) / d;
pixel_to_bin[pxl] = settings.GetBin(q, phi_rad * 180.0 / PI);
}
}
uint16_t AzimuthalIntegrationMapping::GetBinNumber() const {
return settings.GetBinCount();
}
const std::vector<uint16_t> &AzimuthalIntegrationMapping::GetPixelToBin() const {
return pixel_to_bin;
}
const std::vector<float> &AzimuthalIntegrationMapping::GetBinToQ() const {
return bin_to_q;
}
const std::vector<float> &AzimuthalIntegrationMapping::GetBinToD() const {
return bin_to_d;
}
const std::vector<float> &AzimuthalIntegrationMapping::GetBinToTwoTheta() const {
return bin_to_2theta;
}
const std::vector<float> &AzimuthalIntegrationMapping::GetBinToPhi() const {
return bin_to_phi;
}
uint16_t AzimuthalIntegrationMapping::QToBin(float q) const {
return settings.QToBin(q);
}
void AzimuthalIntegrationMapping::UpdateMaxBinNumber() {
bin_to_q.resize(settings.GetBinCount());
bin_to_d.resize(settings.GetBinCount());
bin_to_2theta.resize(settings.GetBinCount());
bin_to_phi.resize(settings.GetBinCount());
for (int j = 0; j < settings.GetAzimuthalBinCount(); j++) {
for (int i = 0; i < settings.GetQBinCount(); i++) {
bin_to_q[j * settings.GetQBinCount() + i] = static_cast<float>(settings.GetQSpacing_recipA() * (i + 0.5) + settings.GetLowQ_recipA());
bin_to_d[j * settings.GetQBinCount() + i] = 2.0f * static_cast<float>(PI) / bin_to_q[j * settings.GetQBinCount() + i];
bin_to_2theta[j * settings.GetQBinCount() + i] = 2.0f * asinf(bin_to_q[i] * wavelength / (4.0f * static_cast<float>(PI))) * 180.0f /
static_cast<float>(PI);
bin_to_phi[j * settings.GetQBinCount() + i] = static_cast<float>(j) * 360.0f / static_cast<float>(settings.GetAzimuthalBinCount());
}
}
}
const std::vector<float> &AzimuthalIntegrationMapping::Corrections() const {
return corrections;
}
const std::vector<float> &AzimuthalIntegrationMapping::Resolution() const {
return pixel_resolution;
}
uint64_t AzimuthalIntegrationMapping::GetPixelToBinChecksum() const {
return pixel_to_bin_checksum;
}
uint64_t AzimuthalIntegrationMapping::GetCorrectionsChecksum() const {
return corrections_checksum;
}
std::shared_ptr<const std::vector<uint32_t>>
AzimuthalIntegrationMapping::ResolutionMaskBits(std::optional<float> high_res,
std::optional<float> low_res) const {
const std::lock_guard lock(res_mask_mutex);
if (res_mask_bits && res_mask_high == high_res && res_mask_low == low_res)
return res_mask_bits;
// An unset limit masks nothing at that end. At the high-resolution end 0 does that on its own - no
// pixel has d < 0, and the detector's own edge is where the pixels stop anyway; at the
// low-resolution end every pixel lies above any finite stand-in, so it takes an infinite one.
const float high = high_res.value_or(0.0f);
const float low = low_res.value_or(INFINITY);
const size_t npixel = pixel_resolution.size();
auto bits = std::make_shared<std::vector<uint32_t>>(npixel / 32 + (npixel % 32 != 0 ? 1 : 0), 0);
for (size_t i = 0; i < npixel; i++)
if (pixel_resolution[i] > low || pixel_resolution[i] < high)
(*bits)[i / 32] |= 1u << (i % 32);
res_mask_high = high_res;
res_mask_low = low_res;
res_mask_bits = bits;
return bits;
}
const AzimuthalIntegrationSettings &AzimuthalIntegrationMapping::Settings() const {
return settings;
}
size_t AzimuthalIntegrationMapping::GetWidth() const {
return width;
}
size_t AzimuthalIntegrationMapping::GetHeight() const {
return height;
}
int32_t AzimuthalIntegrationMapping::GetAzimuthalBinCount() const {
return settings.GetAzimuthalBinCount();
}
int32_t AzimuthalIntegrationMapping::GetQBinCount() const {
return settings.GetQBinCount();
}
size_t AzimuthalIntegrationMapping::GetNThreads() const {
return nthreads;
}