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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

315 lines
15 KiB
C++

// SPDX-FileCopyrightText: 2024 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include <algorithm>
#include <bit>
#include <bitset>
#include <cmath>
#include "ImageSpotFinderCPU.h"
#include "StrongPixelSet.h"
ImageSpotFinderCPU::ImageSpotFinderCPU(int32_t in_width, int32_t in_height)
: ImageSpotFinder(in_width, in_height), first_pass_buffer(OutputSize(), 0) {}
void ImageSpotFinderCPU::Detect(const ImagePreprocessorBuffer &image,
const SpotFindingSettings &settings) {
// Two passes, as ImageSpotFinderGPU::Detect does. The second recomputes every local background
// with the pixels the first found strong taken out of it, and keeps those pixels strong. It
// matters because a spot wide enough to reach into its own background window inflates the mean
// and variance it is then tested against, so its outer pixels fail the SNR test on a single
// pass. The GPU has always done this; running one pass here made the two finders return
// different spot lists for the same frame.
DetectPass(image, settings, nullptr, first_pass_buffer);
DetectPass(image, settings, first_pass_buffer.data(), output_buffer);
}
namespace {
// The local-box SNR test of one pixel. sum/sum2/valid are its window's, centre pixel included.
bool StrongInWindow(int64_t pxl_val, int64_t sum, int64_t sum2, int64_t valid,
const SpotFindingSettings &settings, float strong2) {
const int64_t sum_local = sum - pxl_val;
const int64_t sum2_local = sum2 - pxl_val * pxl_val;
const int64_t valid_local = valid - 1;
const int64_t var = valid_local * sum2_local - (sum_local * sum_local);
const int64_t in_minus_mean = pxl_val * valid_local - sum_local;
return (pxl_val == INT32_MAX) // saturated pixel, or strong in the previous pass, is accepted always
|| ((pxl_val != INT32_MIN && // pixel is not bad pixel
valid_local > ImageSpotFinder::MIN_VALID_PIXELS && // too many bad pixels around will give poor statistics
(pxl_val > settings.photon_count_threshold) && // pixel is above count threshold
(in_minus_mean > 0) && // pixel value is larger than mean
(in_minus_mean * in_minus_mean > static_cast<int64_t>(std::ceil(var * strong2)))));
// pixel is above SNR threshold
}
// Adds row `in` to the vertical sums and takes row `out` out of them; a row of INT32_MIN is no row. A
// bad or saturated pixel adds 0. Written without branches - both rows are always read, so no load is
// conditional - and as a function of its own, so that the loop vectorises whatever it is inlined into;
// integer sums, so the same totals as pixel by pixel.
void SlideVertical(const int32_t *in, const int32_t *out, int32_t width,
int64_t *sum, int64_t *sum2, uint16_t *valid) {
for (int32_t col = 0; col < width; col++) {
const int64_t a = in[col];
const int64_t r = out[col];
const bool a_ok = a != INT32_MAX && a != INT32_MIN;
const bool r_ok = r != INT32_MAX && r != INT32_MIN;
const int64_t a_v = a_ok ? a : 0;
const int64_t r_v = r_ok ? r : 0;
sum[col] += a_v - r_v;
sum2[col] += a_v * a_v - r_v * r_v;
valid[col] += static_cast<uint16_t>(a_ok - r_ok);
}
}
} // namespace
void ImageSpotFinderCPU::DetectAt(const ImagePreprocessorBuffer &image, const SpotFindingSettings &settings,
const std::vector<uint32_t> &candidates,
const std::function<void(int32_t)> &fill_row) {
candidate_windows.clear();
// Filled in by DetectPass as the candidates of each row become known.
first_pass_needed.assign(static_cast<size_t>(height) * ((width + 31) / 32), 0);
DetectPass(image, settings, nullptr, first_pass_buffer, candidates.data(), fill_row);
std::fill(output_buffer.begin(), output_buffer.end(), 0);
const float strong2 = settings.signal_to_noise_threshold * settings.signal_to_noise_threshold;
const auto first_pass = [&](int32_t pxl) { return (first_pass_buffer[pxl / 32] >> (pxl % 32)) & 1U; };
for (const auto &c : candidate_windows) {
const int32_t line = c.pxl / width;
const int32_t col = c.pxl % width;
int64_t sum = c.sum, sum2 = c.sum2, valid = c.valid;
// Take out of the window what the second pass does not count: the first pass's strong pixels.
for (int32_t y = std::max(line - NBX, 0); y <= std::min(line + NBX, height - 1); y++) {
const int32_t first = y * width + std::max(col - NBX, 0);
const int32_t last = y * width + std::min(col + NBX, width - 1);
for (int32_t w = first / 32; w <= last / 32; w++) {
uint32_t bits = first_pass_buffer[w];
if (w == first / 32)
bits &= UINT32_MAX << (first % 32);
if (w == last / 32 && last % 32 != 31)
bits &= (1U << (last % 32 + 1)) - 1;
while (bits) {
const int32_t q = w * 32 + std::countr_zero(bits);
bits &= bits - 1;
const int64_t v = image[q];
if (v != INT32_MAX && v != INT32_MIN) {
sum -= v;
sum2 -= v * v;
valid -= 1;
}
}
}
}
const int64_t pxl_val = first_pass(c.pxl) ? INT32_MAX : image[c.pxl];
if (StrongInWindow(pxl_val, sum, sum2, valid, settings, strong2))
output_buffer[c.pxl / 32] |= 1U << (c.pxl % 32);
}
}
void ImageSpotFinderCPU::DetectPass(const ImagePreprocessorBuffer &image,
const SpotFindingSettings &settings,
const uint32_t *prev_strong,
std::vector<uint32_t> &out_buffer,
const uint32_t *candidates,
const std::function<void(int32_t)> &fill_row) {
for (int i = 0; i < OutputSize(); i++)
out_buffer[i] = 0;
// The first pass's bits are read only inside the window of a candidate (and at the candidate), so
// with candidates it tests only the pixels of the row/column blocks such a window reaches; the bits
// it leaves unset there are never read. Those blocks are marked from each row's candidates as the
// row enters the vertical sums below, which is before any row within NBX of it is tested - so the
// candidates themselves can be filled in a row at a time (fill_row), while the row is in cache.
const int32_t nblocks = (width + 31) / 32;
const auto new_row = [&](int32_t r) {
if (!candidates)
return;
if (fill_row)
fill_row(r);
const int32_t first = r * width;
const int32_t last = first + width - 1;
for (int32_t w = first / 32; w <= last / 32; w++) {
uint32_t bits = candidates[w];
if (w == first / 32)
bits &= UINT32_MAX << (first % 32);
if (w == last / 32 && last % 32 != 31)
bits &= (1U << (last % 32 + 1)) - 1;
for (; bits; bits &= bits - 1) {
const int32_t col = w * 32 + std::countr_zero(bits) - first;
for (int32_t y = std::max(r - NBX, 0); y <= std::min(r + NBX, height - 1); y++)
for (int32_t b = std::max(col - NBX, 0) / 32; b <= std::min(col + NBX, width - 1) / 32; b++)
first_pass_needed[static_cast<size_t>(y) * nblocks + b] = 1;
}
}
};
// A pixel found strong by the previous pass reads as INT32_MAX, which the accumulation below
// already skips and the acceptance test below already takes as strong - the same substitution
// the GPU kernel makes when it reads prev_out.
auto value_at = [&](int32_t pxl) -> int32_t {
if (prev_strong && (prev_strong[pxl / 32] & (1U << (pxl % 32))))
return INT32_MAX;
return image[pxl];
};
std::bitset<32> out = 0;
if (settings.signal_to_noise_threshold <= 0.0) {
if (settings.photon_count_threshold > 0) {
for (int pxl = 0; pxl < height * width; pxl++) {
int32_t bit = pxl % 32;
int32_t pxl_val = value_at(pxl);
if (pxl_val == INT32_MAX || (pxl_val > settings.photon_count_threshold && pxl_val != INT32_MIN))
out.set(bit);
if (bit == 31) {
out_buffer[pxl / 32] = out.to_ulong();
out.reset();
}
}
}
} else {
float strong2 = settings.signal_to_noise_threshold * settings.signal_to_noise_threshold;
// Sum and sum of squares of (2*NBY+1) vertical elements
// These are updated after each line is finished
// 64-bit integer guarantees calculations are made without rounding errors
std::vector<int64_t> sum_vert(width, 0);
std::vector<int64_t> sum2_vert(width, 0);
std::vector<uint16_t> valid_vert(width, 0);
// Add the row entering the window (line_in) and take out the one leaving it (line_out); -1 is
// no row. A pixel strong in the previous pass is not counted either; SlideVertical adds it with
// the rest of its row and it is taken out again below - there are few, and the sums are
// integers, so the totals are the same as never adding it.
const int32_t *img = image.data();
const int32_t w = width;
int64_t *sv = sum_vert.data();
int64_t *sv2 = sum2_vert.data();
uint16_t *vv = valid_vert.data();
const std::vector<int32_t> no_row(width, INT32_MIN);
auto slide_vert = [&](int line_in, int line_out) {
SlideVertical(line_in >= 0 ? img + static_cast<size_t>(line_in) * w : no_row.data(),
line_out >= 0 ? img + static_cast<size_t>(line_out) * w : no_row.data(), w, sv, sv2, vv);
if (!prev_strong)
return;
// sign = +1 takes out what line_in added, -1 puts back what line_out took out.
const auto uncount_strong = [&](int line, int64_t sign) {
const int32_t first = line * w, last = first + w - 1;
for (int32_t word = first / 32; word <= last / 32; word++) {
uint32_t bits = prev_strong[word];
if (word == first / 32)
bits &= UINT32_MAX << (first % 32);
if (word == last / 32 && last % 32 != 31)
bits &= (1U << (last % 32 + 1)) - 1;
for (; bits; bits &= bits - 1) {
const int32_t pxl = word * 32 + std::countr_zero(bits);
const int64_t v = img[pxl];
if (v == INT32_MAX || v == INT32_MIN)
continue;
sv[pxl - first] -= sign * v;
sv2[pxl - first] -= sign * v * v;
vv[pxl - first] -= static_cast<uint16_t>(sign);
}
}
};
if (line_in >= 0)
uncount_strong(line_in, 1);
if (line_out >= 0)
uncount_strong(line_out, -1);
};
for (int line = 0; line < NBX; line++) {
new_row(line);
slide_vert(line, -1);
}
for (int line = 0; line < height; line++) {
if (line < height - NBX)
new_row(line + NBX);
slide_vert(line < height - NBX ? line + NBX : -1, line >= NBX + 1 ? line - (NBX + 1) : -1);
if (candidates) {
// Only the runs of 32-column blocks whose result is read (first_pass_needed; every
// candidate lies in one). Each run starts its window from the vertical sums over the
// columns it covers there - integers, so the same sums the running window holds at
// that column - and slides it as below; the bits outside the runs stay 0, as below.
const uint8_t *needed = first_pass_needed.data() + static_cast<size_t>(line) * nblocks;
for (int32_t b = 0; b < nblocks;) {
if (!needed[b]) { b++; continue; }
const int32_t c0 = b * 32;
while (b < nblocks && needed[b]) b++;
const int32_t c1 = std::min(b * 32, width);
int64_t sum = 0, sum2 = 0, valid = 0;
for (int32_t c = std::max(c0 - NBX, 0); c <= std::min(c0 + NBX, width - 1); c++) {
sum += sum_vert[c];
sum2 += sum2_vert[c];
valid += valid_vert[c];
}
for (int32_t col = c0; col < c1; col++) {
if (col > c0) {
if (col < width - NBX) {
sum += sum_vert[col + NBX];
sum2 += sum2_vert[col + NBX];
valid += valid_vert[col + NBX];
}
if (col >= NBX + 1) {
sum -= sum_vert[col - NBX - 1];
sum2 -= sum2_vert[col - NBX - 1];
valid -= valid_vert[col - NBX - 1];
}
}
const int32_t pxl = line * width + col;
if (candidates[pxl / 32] & (1U << (pxl % 32)))
candidate_windows.push_back({pxl, sum, sum2, valid});
if (StrongInWindow(value_at(pxl), sum, sum2, valid, settings, strong2))
out_buffer[pxl / 32] |= 1U << (pxl % 32);
}
}
continue;
}
int64_t sum = 0;
int64_t sum2 = 0;
int64_t valid = 0;
for (int col = 0; col < NBX; col++) {
sum += sum_vert[col];
sum2 += sum2_vert[col];
valid += valid_vert[col];
}
for (int col = 0; col < width; col++) {
if (col < width - NBX) {
sum += sum_vert[col + NBX];
sum2 += sum2_vert[col + NBX];
valid += valid_vert[col + NBX];
}
if (col >= NBX + 1) {
sum -= sum_vert[col - NBX - 1];
sum2 -= sum2_vert[col - NBX - 1];
valid -= valid_vert[col - NBX - 1];
}
const int32_t pxl = line * width + col;
const int32_t bit = pxl % 32;
if (StrongInWindow(value_at(pxl), sum, sum2, valid, settings, strong2))
out.set(bit);
if (bit == 31) {
out_buffer[pxl / 32] = out.to_ulong();
out.reset() ;
}
}
}
}
if (height * width % 32 != 0)
out_buffer[OutputSize() - 1] |= out.to_ulong(); // zeroed above; the candidates path sets its bits directly
}