The centre in the file is often a placeholder, and nothing measures it until post-refinement has already indexed the sweep - by which time a wrong centre has chosen the lattice. Two exact facts about a rotation sweep give it from spot positions alone, with no cell, no orientation matrix and nothing indexed. Rotating 180 degrees about the spindle and taking -h negates a reflection's component along the spindle and leaves the rest, so with the spindle perpendicular to the beam the Laue condition is preserved and the spots recorded half a turn apart are mirror images along the spindle. Those are Friedel mates, not the same reflection. The same reflection appears twice for a different reason: it meets the Ewald sphere on two crossings, generally not half a turn apart, differing only in the sign of the component perpendicular to both the spindle and the beam. The first observable gives the coordinate along the spindle, the second the coordinate across it. Each candidate pairing votes and the true value accumulates while wrong pairings scatter. Both observables need guarding, because a vote is a comb and the tallest tooth is not always the right one. Along the spindle a false pairing cannot fake the equality of Friedel amplitudes. Across it, the two crossings of one reflection are separated by a sweep angle its own position fixes, which no accidental pair reproduces. The mirror is exact in the laboratory frame, so it is only as good as the rotation axis. Every file here states an ideal axis and none of them has one; a skew about the beam spreads the vote instead of shifting it, and past a milliradian it moves an otherwise correct answer by pixels while every internal statistic still looks healthy. It is therefore fitted, not assumed. A tilt of the axis towards the beam is measured and reported but not applied, being confounded with the detector rotation until that is fitted too. Nothing inside the fit can see a wrong tooth - when the vote flips, every frame pair flips with it - so the answer is checked from outside, by asking whether it depends on where the search began. That, and a floor on the angular span the pairs cover, are what refuse the cases this cannot measure: a sweep barely past half a turn is the dangerous one, not the short one, because at exactly half a turn there is nothing to fit and just past it there is almost nothing. Where the sweep is too short for any of this the radial background profile gives a coarser centre from a handful of images, and where neither can measure it the file's value is kept. The beam-stop projection now takes its own frames rather than sharing the sample, so turning this on cannot change the mask; and both samples keep away from the ends of the sweep, where shutter synchronisation spoils an image. Reading twice as many frames as before costs a few seconds once, and is what makes the answer independent of which frames were drawn. Off by default. Over the 38-crystal rotation battery it serves every dataset, agrees with XDS's refined direct beam to 0.116 px in the median against 0.135 for the value in the file, and changes no space group. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
407 lines
17 KiB
C++
407 lines
17 KiB
C++
// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#include "ShadowFinder.h"
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#include <algorithm>
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#include <cmath>
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#include <limits>
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#include <queue>
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#include <type_traits>
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#include "../../common/JFJochException.h"
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// A pixel is shadow when its background is below this fraction of the background it is
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// compared against.
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constexpr float SHADOW_RATIO = 0.35f;
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// The boundary grows outward into partially shadowed pixels down to this fraction, but no
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// further than PENUMBRA_MAX_PX from the core.
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constexpr float PENUMBRA_RATIO = 0.72f;
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constexpr int PENUMBRA_MAX_PX = 14;
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// Bridge module gaps and small breaks that the holder arm crosses.
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constexpr int BRIDGE_PX = 6;
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// A pixel whose maximum reaches this recorded a real reflection and is never masked - a
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// beam stop cannot block a reflection that was measured.
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constexpr int64_t MIN_REFLECTION = 25;
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// Counts the background must have accumulated over the frames and the pooled pixels before
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// a dip in it is believable. Below this a Poisson hole is indistinguishable from a shadow,
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// and testing anyway masks whole detectors on low-background data.
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constexpr double MIN_EXPECTED_COUNTS = 60;
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// Side of the box the background is pooled over before testing. Its area is how many pixels back
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// a ring's countability test, which decides where an azimuthal comparison is possible at all.
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constexpr int POOL_PX = 5;
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constexpr double MEAN_POOLED_PIXELS = POOL_PX * POOL_PX;
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// A ring with fewer valid pixels than this says nothing about whether it was counted.
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constexpr int MIN_RING_PIXELS = 32;
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// Binary-image helpers on a width*height frame stored row-major as char (0/1). All run once,
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// at GetMask() time; the BFS forms keep them O(pixels) rather than O(pixels * radius).
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namespace {
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// 8-connected dilation by `r` pixels (Chebyshev), via a multi-source BFS.
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std::vector<char> dilate(const std::vector<char> &in, int W, int H, int r) {
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if (r <= 0)
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return in;
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std::vector<int> dist(in.size(), -1);
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std::queue<int> q;
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for (size_t i = 0; i < in.size(); i++)
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if (in[i]) { dist[i] = 0; q.push(static_cast<int>(i)); }
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while (!q.empty()) {
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const int i = q.front(); q.pop();
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if (dist[i] >= r)
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continue;
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const int y = i / W, x = i % W;
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for (int dy = -1; dy <= 1; dy++)
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for (int dx = -1; dx <= 1; dx++) {
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const int yy = y + dy, xx = x + dx;
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if (yy < 0 || yy >= H || xx < 0 || xx >= W)
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continue;
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const int j = yy * W + xx;
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if (dist[j] < 0) { dist[j] = dist[i] + 1; q.push(j); }
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}
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}
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std::vector<char> out(in.size());
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for (size_t i = 0; i < out.size(); i++)
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out[i] = (dist[i] >= 0) ? 1 : 0;
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return out;
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}
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// Erosion by `r` = dilation of the complement; outside the frame counts as complement.
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std::vector<char> erode(const std::vector<char> &in, int W, int H, int r) {
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std::vector<char> comp(in.size());
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for (size_t i = 0; i < in.size(); i++)
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comp[i] = !in[i];
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const auto grown = dilate(comp, W, H, r);
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std::vector<char> out(in.size());
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for (size_t i = 0; i < out.size(); i++)
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out[i] = !grown[i];
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return out;
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}
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// Pixels of `passable` reachable from any of `seeds` (8-connected flood).
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std::vector<char> flood(const std::vector<char> &passable, int W, int H, const std::vector<int> &seeds) {
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std::vector<char> visited(passable.size(), 0);
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std::queue<int> q;
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for (const int s : seeds)
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if (passable[s] && !visited[s]) { visited[s] = 1; q.push(s); }
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while (!q.empty()) {
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const int i = q.front(); q.pop();
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const int y = i / W, x = i % W;
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for (int dy = -1; dy <= 1; dy++)
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for (int dx = -1; dx <= 1; dx++) {
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const int yy = y + dy, xx = x + dx;
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if (yy < 0 || yy >= H || xx < 0 || xx >= W)
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continue;
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const int j = yy * W + xx;
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if (passable[j] && !visited[j]) { visited[j] = 1; q.push(j); }
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}
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}
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return visited;
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}
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// Fill holes: background not reachable from the image border becomes region.
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std::vector<char> fill_holes(const std::vector<char> ®ion, int W, int H) {
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std::vector<char> bg_visited(region.size(), 0);
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std::queue<int> q;
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auto push = [&](int i) { if (!region[i] && !bg_visited[i]) { bg_visited[i] = 1; q.push(i); } };
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for (int x = 0; x < W; x++) { push(x); push((H - 1) * W + x); }
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for (int y = 0; y < H; y++) { push(y * W); push(y * W + W - 1); }
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while (!q.empty()) {
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const int i = q.front(); q.pop();
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const int y = i / W, x = i % W;
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for (int dy = -1; dy <= 1; dy++)
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for (int dx = -1; dx <= 1; dx++) {
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const int yy = y + dy, xx = x + dx;
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if (yy < 0 || yy >= H || xx < 0 || xx >= W)
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continue;
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const int j = yy * W + xx;
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if (!region[j] && !bg_visited[j]) { bg_visited[j] = 1; q.push(j); }
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}
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}
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std::vector<char> out = region;
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for (size_t i = 0; i < out.size(); i++)
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if (!region[i] && !bg_visited[i])
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out[i] = 1;
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return out;
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}
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// Sum of `in` over the k x k box centred on each pixel, zero outside the frame.
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std::vector<double> box_sum(const std::vector<double> &in, int W, int H, int k) {
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const int half = k / 2;
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std::vector<double> row(in.size(), 0.0), out(in.size(), 0.0);
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for (int y = 0; y < H; y++) {
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double s = 0;
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for (int x = 0; x <= std::min(half, W - 1); x++)
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s += in[y * W + x];
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for (int x = 0; x < W; x++) {
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row[y * W + x] = s;
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if (x + half + 1 < W) s += in[y * W + x + half + 1];
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if (x - half >= 0) s -= in[y * W + x - half];
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}
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}
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for (int x = 0; x < W; x++) {
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double s = 0;
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for (int y = 0; y <= std::min(half, H - 1); y++)
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s += row[y * W + x];
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for (int y = 0; y < H; y++) {
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out[y * W + x] = s;
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if (y + half + 1 < H) s += row[(y + half + 1) * W + x];
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if (y - half >= 0) s -= row[(y - half) * W + x];
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}
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}
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return out;
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}
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// Median of `values` per integer radius, over the pixels flagged in `use`.
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std::vector<float> ring_median(const std::vector<float> &values, const std::vector<char> &use,
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const std::vector<int> &radius, int max_radius) {
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std::vector<std::vector<float>> bins(max_radius + 1);
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for (size_t i = 0; i < values.size(); i++)
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if (use[i])
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bins[radius[i]].push_back(values[i]);
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std::vector<float> out(max_radius + 1, 0.0f);
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for (int r = 0; r <= max_radius; r++) {
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auto &b = bins[r];
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if (!b.empty()) {
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const size_t k = b.size() / 2;
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std::nth_element(b.begin(), b.begin() + k, b.end());
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out[r] = b[k];
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}
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}
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return out;
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}
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} // namespace
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ShadowFinder::ShadowFinder(const DiffractionExperiment &experiment, const PixelMask &mask)
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: width(static_cast<int>(experiment.GetXPixelsNumConv())),
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height(static_cast<int>(experiment.GetYPixelsNumConv())),
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beam_x(experiment.GetBeamX_pxl()),
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beam_y(experiment.GetBeamY_pxl()),
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pixel_mask(mask.GetMask(experiment)),
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max_value(static_cast<size_t>(width) * height, 0),
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sum_value(static_cast<size_t>(width) * height, 0),
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valid_count(static_cast<size_t>(width) * height, 0) {
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if (pixel_mask.size() != max_value.size())
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"ShadowFinder: pixel mask does not match the detector");
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}
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template<class T>
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void ShadowFinder::Add(const T *ptr) {
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// The pixel type's sentinel extreme marks "no data" (module gap / masked): the
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// preprocessor/writer stores INT*_MIN for signed and UINT*_MAX for unsigned. For signed
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// types the opposite extreme is a genuine saturated value and is kept, so a saturated
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// reflection still registers as bright.
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T masked;
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if constexpr (std::is_signed_v<T>)
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masked = std::numeric_limits<T>::min();
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else
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masked = std::numeric_limits<T>::max();
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std::unique_lock ul(m);
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for (size_t i = 0; i < max_value.size(); i++) {
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const T v = ptr[i];
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if (v == masked)
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continue;
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const int64_t vi = static_cast<int64_t>(v);
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if (valid_count[i] == 0 || vi > max_value[i])
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max_value[i] = vi;
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sum_value[i] += vi;
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valid_count[i]++;
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}
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frames++;
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}
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void ShadowFinder::AddImage(const DataMessage &data, std::vector<uint8_t> buffer) {
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if (static_cast<size_t>(data.image.GetWidth()) * data.image.GetHeight() != max_value.size())
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"ShadowFinder: image size does not match the detector");
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const auto ptr = data.image.GetUncompressedPtr(buffer);
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switch (data.image.GetMode()) {
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case CompressedImageMode::Int8: Add(reinterpret_cast<const int8_t *>(ptr)); break;
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case CompressedImageMode::Uint8: Add(reinterpret_cast<const uint8_t *>(ptr)); break;
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case CompressedImageMode::Int16: Add(reinterpret_cast<const int16_t *>(ptr)); break;
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case CompressedImageMode::Uint16: Add(reinterpret_cast<const uint16_t *>(ptr)); break;
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case CompressedImageMode::Int32: Add(reinterpret_cast<const int32_t *>(ptr)); break;
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case CompressedImageMode::Uint32: Add(reinterpret_cast<const uint32_t *>(ptr)); break;
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default:
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"ShadowFinder: unsupported image mode");
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}
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}
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uint32_t ShadowFinder::GetFrameCount() const {
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std::unique_lock ul(m);
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return frames;
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}
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std::vector<float> ShadowFinder::GetMeanProjection() const {
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std::unique_lock ul(m);
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std::vector<float> mean(static_cast<size_t>(width) * height, NAN);
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for (size_t i = 0; i < mean.size(); i++)
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if (valid_count[i] > 0 && pixel_mask[i] == 0)
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mean[i] = static_cast<float>(static_cast<double>(sum_value[i]) / valid_count[i]);
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return mean;
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}
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std::vector<uint32_t> ShadowFinder::GetMask() const {
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std::unique_lock ul(m);
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const int W = width, H = height;
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const int n_pixels = W * H;
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std::vector<uint32_t> mask(n_pixels, 0);
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if (frames == 0)
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return mask;
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// mean projection, usable pixels and radius from the beam centre
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std::vector<float> mean(n_pixels, 0.0f);
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std::vector<char> valid(n_pixels, 0);
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std::vector<int> radius(n_pixels, 0);
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int max_radius = 0;
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for (int y = 0; y < H; y++)
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for (int x = 0; x < W; x++) {
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const int i = y * W + x;
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if (valid_count[i] > 0 && pixel_mask[i] == 0) {
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mean[i] = static_cast<float>(static_cast<double>(sum_value[i]) / valid_count[i]);
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valid[i] = 1;
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}
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const float dx = x - beam_x, dy = y - beam_y;
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radius[i] = static_cast<int>(std::lround(std::sqrt(dx * dx + dy * dy)));
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max_radius = std::max(max_radius, radius[i]);
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}
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// Pool the background over a small box before testing it. A background of a fraction of
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// a count per pixel per frame gives no single pixel enough counts to tell a shadow from
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// a Poisson hole; the stop and its arm are wider than the box, so pooling costs no
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// resolution that matters and multiplies the statistics by the pixels in the box.
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std::vector<double> num(n_pixels), den(n_pixels);
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for (int i = 0; i < n_pixels; i++) {
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num[i] = valid[i] ? mean[i] : 0.0;
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den[i] = valid[i] ? 1.0 : 0.0;
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}
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const auto pooled_sum = box_sum(num, W, H, POOL_PX);
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const auto pooled_count = box_sum(den, W, H, POOL_PX);
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std::vector<float> pooled(n_pixels, 0.0f);
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for (int i = 0; i < n_pixels; i++)
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if (pooled_count[i] > 0)
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pooled[i] = static_cast<float>(pooled_sum[i] / pooled_count[i]);
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// Azimuthal comparison: the median of the ring, iterated so the shadow stays out of the
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// baseline it is measured against.
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std::vector<float> ratio(n_pixels, 1.0f);
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std::vector<char> excluded(n_pixels, 0);
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std::vector<float> baseline;
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for (int iter = 0; iter < 3; iter++) {
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std::vector<char> use(n_pixels);
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for (int i = 0; i < n_pixels; i++)
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use[i] = valid[i] && !excluded[i];
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baseline = ring_median(pooled, use, radius, max_radius);
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for (int i = 0; i < n_pixels; i++)
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if (valid[i])
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ratio[i] = pooled[i] / std::max(baseline[radius[i]], 1e-6f);
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for (int i = 0; i < n_pixels; i++)
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excluded[i] = valid[i] && ratio[i] < SHADOW_RATIO;
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}
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// A ring whose background was never counted carries no information to test a pixel against.
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// Walking outward, every ring before the first countable one lies wholly inside the stop - a
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// ring fully within the disk has no unshadowed pixel for the median to find, which is exactly
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// where an azimuthal comparison must fail. Those rings are shadow in their entirety.
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// Innermost rings hold only a handful of pixels, too few to judge, so they are stepped over
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// rather than allowed to end the walk.
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std::vector<int> ring_pixels(max_radius + 1, 0);
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for (int i = 0; i < n_pixels; i++)
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if (valid[i])
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ring_pixels[radius[i]]++;
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// A ring lies inside the stop when its background is a fraction of the background further out.
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// Counting statistics cannot decide this: on a bright dataset the shadow is still well counted.
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// The comparison is only ever used to answer "is this whole ring inside the stop", never to
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// judge an individual pixel, so taking the largest background over an outward window is safe
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// here in a way it would not be per pixel.
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std::vector<float> outward_max(max_radius + 2, 0.0f);
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for (int rad = max_radius; rad >= 0; rad--)
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outward_max[rad] = std::max(baseline[rad], outward_max[rad + 1]);
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int blocked_out_to = -1;
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for (int rad = 0; rad <= max_radius; rad++) {
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if (ring_pixels[rad] < MIN_RING_PIXELS)
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continue;
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if (baseline[rad] >= SHADOW_RATIO * outward_max[rad])
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break;
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blocked_out_to = rad;
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}
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std::vector<char> low(n_pixels, 0);
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for (int i = 0; i < n_pixels; i++) {
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if (!valid[i])
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continue;
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if (radius[i] <= blocked_out_to) {
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low[i] = 1;
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continue;
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}
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const double counted = frames * pooled_count[i];
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low[i] = ratio[i] < SHADOW_RATIO && baseline[radius[i]] * counted >= MIN_EXPECTED_COUNTS;
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}
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// The shadow is the low region connected to the beam centre, bridging the gaps it crosses.
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const std::vector<char> bridged = dilate(low, W, H, BRIDGE_PX);
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std::vector<int> seeds;
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for (int i = 0; i < n_pixels; i++)
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if (radius[i] < 4)
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seeds.push_back(i);
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const std::vector<char> connected = flood(bridged, W, H, seeds);
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std::vector<char> region(n_pixels);
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for (int i = 0; i < n_pixels; i++)
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region[i] = low[i] && connected[i];
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// Recorded reflections. A small cluster is required so a single-frame zinger does not count.
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std::vector<char> lit(n_pixels, 0);
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for (int i = 0; i < n_pixels; i++)
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lit[i] = (valid_count[i] > 0) && (max_value[i] >= MIN_REFLECTION);
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std::vector<char> reflection(n_pixels, 0);
|
|
for (int y = 0; y < H; y++)
|
|
for (int x = 0; x < W; x++) {
|
|
const int i = y * W + x;
|
|
if (!lit[i]) continue;
|
|
int neighbours = 0;
|
|
for (int dy = -1; dy <= 1; dy++)
|
|
for (int dx = -1; dx <= 1; dx++) {
|
|
const int yy = y + dy, xx = x + dx;
|
|
if ((dx || dy) && yy >= 0 && yy < H && xx >= 0 && xx < W && lit[yy * W + xx])
|
|
neighbours++;
|
|
}
|
|
reflection[i] = (neighbours >= 2);
|
|
}
|
|
|
|
// Grow the soft boundary, round it and fill the disk interior.
|
|
const std::vector<char> penumbra = dilate(region, W, H, PENUMBRA_MAX_PX);
|
|
for (int i = 0; i < n_pixels; i++)
|
|
if (penumbra[i] && valid[i] && ratio[i] < PENUMBRA_RATIO)
|
|
region[i] = 1;
|
|
|
|
region = erode(dilate(region, W, H, 2), W, H, 2);
|
|
region = fill_holes(region, W, H);
|
|
|
|
// Expose recorded reflections - done last, with no fill afterwards, so a spot the shadow
|
|
// still covered is given back rather than re-enclosed.
|
|
const std::vector<char> reflection_grown = dilate(reflection, W, H, 1);
|
|
for (int i = 0; i < n_pixels; i++)
|
|
if (reflection_grown[i])
|
|
region[i] = 0;
|
|
|
|
for (int i = 0; i < n_pixels; i++)
|
|
mask[i] = region[i] ? 1 : 0;
|
|
return mask;
|
|
}
|