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Jungfraujoch/common/AzimuthalIntegration.cpp
Filip Leonarski 1ab257af6c
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v1.0.0-rc.125 (#32)
This is an UNSTABLE release. This version adds scalign and merging. These are experimental at the moment, and should not be used for production analysis.
If things go wrong with analysis, it is better to revert to 1.0.0-rc.124.

* jfjoch_broker: Improve logic on switching on/off spot finding
* jfjoch_broker: Increase maximum spot count for FFBIDX to 65536
* jfjoch_broker: Increase default maximum unit cell for FFT to 500 A (could have performance impact, TBD)
* jfjoch_process: Add scalign and merging functionality - program is experimental at the moment and should not be used for production analysis
* jfjoch_viewer: Display partiality and reciprocal Lorentz-polarization correction for each reflection
* jfjoch_writer: Save more information about each reflection

Reviewed-on: #32
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-02-18 16:17:21 +01:00

173 lines
6.3 KiB
C++

// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include <cmath>
#include "AzimuthalIntegration.h"
#include "JFJochException.h"
#include "DiffractionGeometry.h"
#include "RawToConvertedGeometry.h"
AzimuthalIntegration::AzimuthalIntegration(const AzimuthalIntegrationSettings& in_settings, size_t width, size_t height,
float wavelength)
: settings(in_settings), width(width), height(height), wavelength(wavelength) {
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");
}
AzimuthalIntegration::AzimuthalIntegration(const DiffractionExperiment &experiment,
const PixelMask& mask)
: AzimuthalIntegration(experiment.GetAzimuthalIntegrationSettings(),
experiment.GetXPixelsNum(),
experiment.GetYPixelsNum(),
experiment.GetWavelength_A()) {
polarization_factor = experiment.GetPolarizationFactor();
if (!experiment.IsGeometryTransformed())
SetupRawGeom(experiment, mask.GetMaskRaw(experiment));
else
SetupConvGeom(experiment.GetDiffractionGeometry(),mask.GetMask());
UpdateMaxBinNumber();
}
void AzimuthalIntegration::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.size() != width * height)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid, "Mask size invalid");
for (int row = 0; row < height; row++)
for (int col = 0; col < width; col++)
SetupPixel(geom, mask, row * width + col, col, row);
}
void AzimuthalIntegration::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();
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, x, y);
}
}
}
void AzimuthalIntegration::SetupPixel(const DiffractionGeometry &geom,
const std::vector<uint32_t> &mask,
uint32_t pxl, uint32_t col, uint32_t row) {
if (mask[pxl] != 0)
return;
auto x = static_cast<float>(col);
auto y = static_cast<float>(row);
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>(M_PI) / d;
pixel_to_bin[pxl] = settings.GetBin(q, phi_rad * 180.0 / M_PI);
}
}
uint16_t AzimuthalIntegration::GetBinNumber() const {
return settings.GetBinCount();
}
const std::vector<uint16_t> &AzimuthalIntegration::GetPixelToBin() const {
return pixel_to_bin;
}
const std::vector<float> &AzimuthalIntegration::GetBinToQ() const {
return bin_to_q;
}
const std::vector<float> &AzimuthalIntegration::GetBinToD() const {
return bin_to_d;
}
const std::vector<float> &AzimuthalIntegration::GetBinToTwoTheta() const {
return bin_to_2theta;
}
const std::vector<float> &AzimuthalIntegration::GetBinToPhi() const {
return bin_to_phi;
}
uint16_t AzimuthalIntegration::QToBin(float q) const {
return settings.QToBin(q);
}
void AzimuthalIntegration::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>(M_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>(M_PI))) * 180.0f /
static_cast<float>(M_PI);
bin_to_phi[j * settings.GetQBinCount() + i] = static_cast<float>(j) * 360.0f / static_cast<float>(settings.GetAzimuthalBinCount());
}
}
}
const std::vector<float> &AzimuthalIntegration::Corrections() const {
return corrections;
}
const std::vector<float> &AzimuthalIntegration::Resolution() const {
return pixel_resolution;
}
const AzimuthalIntegrationSettings &AzimuthalIntegration::Settings() const {
return settings;
}
size_t AzimuthalIntegration::GetWidth() const {
return width;
}
size_t AzimuthalIntegration::GetHeight() const {
return height;
}
int32_t AzimuthalIntegration::GetAzimuthalBinCount() const {
return settings.GetAzimuthalBinCount();
}
int32_t AzimuthalIntegration::GetQBinCount() const {
return settings.GetQBinCount();
}