117 lines
4.5 KiB
C++
117 lines
4.5 KiB
C++
// SPDX-FileCopyrightText: 2025 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 "QuickIntegrate.h"
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#include "BraggPrediction.h"
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#include <iostream>
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#include "IntegrationStats.h"
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QuickIntegrate::QuickIntegrate(const DiffractionExperiment &in_experiment)
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: experiment(in_experiment) {}
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template<class T>
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QuickIntegrateResult QuickIntegrate::IntegrateInternal(const CompressedImage &image,
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const CrystalLattice &latt,
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int64_t special_value,
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int64_t saturation,
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float high_res_A) {
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auto start = std::chrono::high_resolution_clock::now();
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std::vector<uint8_t> buffer;
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auto ptr = reinterpret_cast<const T*>(image.GetUncompressedPtr(buffer));
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BraggPrediction prediction(experiment,latt, high_res_A, ewald_sphere_angle_cutoff);
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auto refl = prediction.GetReflections(ewald_sphere_angle_cutoff);
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QuickIntegrateResult ret;
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IntegrationStats stats(6.0, high_res_A, 10); // Wilson statistics is only linear in certain resolution range
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for (const auto &r_iter: refl) {
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Reflection r = r_iter;
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if (IntegrateInternal(r, ptr, image.GetWidth(), image.GetHeight(), special_value, saturation)) {
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ret.reflections.push_back(r);
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stats.AddReflection(r);
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}
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}
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ret.b_factor = stats.BFactor();
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return ret;
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}
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QuickIntegrateResult QuickIntegrate::Integrate(const CompressedImage& image,
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const CrystalLattice &latt,
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float high_res_A) {
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if (image.GetCompressedSize() == 0)
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return {};
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switch (image.GetMode()) {
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case CompressedImageMode::Int8:
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return IntegrateInternal<int8_t>(image, latt, INT8_MIN, INT8_MAX, high_res_A);
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case CompressedImageMode::Int16:
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return IntegrateInternal<int16_t>(image, latt, INT16_MIN, INT16_MAX, high_res_A);
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case CompressedImageMode::Int32:
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return IntegrateInternal<int32_t>(image, latt, INT32_MIN, INT32_MAX, high_res_A);
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case CompressedImageMode::Uint8:
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return IntegrateInternal<uint8_t>(image, latt, UINT8_MAX, UINT8_MAX, high_res_A);
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case CompressedImageMode::Uint16:
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return IntegrateInternal<uint16_t>(image, latt, UINT16_MAX, UINT16_MAX, high_res_A);
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case CompressedImageMode::Uint32:
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return IntegrateInternal<uint16_t>(image, latt, UINT32_MAX, UINT32_MAX, high_res_A);
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default:
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Image mode not supported");
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}
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}
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template<class T>
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bool QuickIntegrate::IntegrateInternal(Reflection &r, const T *image, size_t xpixel, size_t ypixel,
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int64_t special_value, int64_t saturation) {
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r.I = 0;
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r.bkg = 0;
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int64_t x0 = std::floor(r.center_x_pxl - r_3 - 1.0);
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int64_t x1 = std::ceil(r.center_x_pxl + r_3 + 1.0);
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int64_t y0 = std::floor(r.center_y_pxl - r_3 - 1.0);
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int64_t y1 = std::ceil(r.center_y_pxl + r_3 + 1.0);
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if (x0 < 0)
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x0 = 0;
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if (y0 < 0)
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y0 = 0;
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if (x1 >= xpixel)
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x1 = xpixel - 1;
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if (y1 >= ypixel)
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y1 = ypixel - 1;
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int64_t I_sum = 0;
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int64_t I_npixel = 0;
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int64_t bkg_sum = 0;
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int64_t bkg_npixel = 0;
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for (int64_t y = y0; y <= y1; y++) {
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for (int64_t x = x0; x <= x1; x++) {
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float dist_sq = (x - r.center_x_pxl) * (x - r.center_x_pxl) + (y - r.center_y_pxl) * (y - r.center_y_pxl);
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if (image[y * xpixel + x] == special_value || image[y * xpixel + x] == saturation) {
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continue;
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} else if (dist_sq < r_1_sq) {
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I_sum += image[y * xpixel + x];
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I_npixel++;
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} else if (dist_sq >= r_2_sq && dist_sq < r_3_sq) {
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bkg_sum += image[y * xpixel + x];
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bkg_npixel++;
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}
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}
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}
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if ((I_npixel > 2) && (bkg_npixel > 5)) {
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r.bkg = static_cast<float>(bkg_sum) / static_cast<float>(bkg_npixel);
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r.I = static_cast<float>(I_sum) - static_cast<float>(I_npixel) * r.bkg;
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// minimum sigma is 1!
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if (I_sum >= 1)
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r.sigma = std::sqrt(static_cast<float>(I_sum));
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else
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r.sigma = 1;
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return true;
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}
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return false;
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}
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