458 lines
16 KiB
C++
458 lines
16 KiB
C++
// SPDX-FileCopyrightText: 2024 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 <catch2/catch_all.hpp>
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#include <iostream>
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#include "../common/DiffractionGeometry.h"
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#include "../common/DiffractionExperiment.h"
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TEST_CASE("RecipToDetector_1", "[LinearAlgebra][Coord]") {
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DiffractionExperiment x(DetJF(8, 2));
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x.BeamX_pxl(1024).BeamY_pxl(1024).DetectorDistance_mm(120);
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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float pos_x = 512, pos_y = 512;
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auto recip = geom.DetectorToRecip(pos_x, pos_y);
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auto [proj_x, proj_y] = geom.RecipToDector(recip);
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REQUIRE(proj_x == Catch::Approx(pos_x));
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REQUIRE(proj_y == Catch::Approx(pos_y));
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REQUIRE((recip - geom.DetectorToRecip(proj_x, proj_y)).Length() < 0.00000001f);
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REQUIRE(geom.DistFromEwaldSphere(recip) < 4e-4);
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}
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TEST_CASE("RecipToDetector_2", "[LinearAlgebra][Coord]") {
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DiffractionExperiment x(DetJF(8, 2));
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x.BeamX_pxl(1024).BeamY_pxl(1024).DetectorDistance_mm(120);
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float pos_x = 1023, pos_y = 1023;
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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auto recip = geom.DetectorToRecip(pos_x, pos_y);
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auto [proj_x, proj_y] = geom.RecipToDector(recip);
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REQUIRE(proj_x == Catch::Approx(pos_x));
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REQUIRE(proj_y == Catch::Approx(pos_y));
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REQUIRE((recip - geom.DetectorToRecip(proj_x, proj_y)).Length() < 0.00000001f);
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REQUIRE(geom.DistFromEwaldSphere(recip) < 4e-4);
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}
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TEST_CASE("RecipToDetector_3", "[LinearAlgebra][Coord]") {
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DiffractionExperiment x(DetJF(8, 2));
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x.BeamX_pxl(1024).BeamY_pxl(1024).DetectorDistance_mm(120);
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float pos_x = 30, pos_y = 30;
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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auto recip = geom.DetectorToRecip(pos_x, pos_y);
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auto [proj_x, proj_y] = geom.RecipToDector(recip);
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REQUIRE(proj_x == Catch::Approx(pos_x));
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REQUIRE(proj_y == Catch::Approx(pos_y));
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REQUIRE((recip - geom.DetectorToRecip(proj_x, proj_y)).Length() < 0.00000001f);
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REQUIRE(geom.DistFromEwaldSphere(recip) < 4e-4);
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}
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TEST_CASE("DiffractionGeometry_Phi","") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(75).IncidentEnergy_keV(WVL_1A_IN_KEV);
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x.BeamX_pxl(1000).BeamY_pxl(1000);
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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CHECK(geom.Phi_rad(2000, 1000) * (180.0 / M_PI) == Catch::Approx(0.0));
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CHECK(geom.Phi_rad(2000, 0) * (180.0 / M_PI) == Catch::Approx(315.0f));
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CHECK(geom.Phi_rad(1000, 0) * (180.0 / M_PI) == Catch::Approx(270.0f));
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CHECK(geom.Phi_rad(0, 0) * (180.0 / M_PI) == Catch::Approx(225.0f));
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CHECK(geom.Phi_rad(0, 1000) * (180.0 / M_PI) == Catch::Approx(180.0f));
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CHECK(geom.Phi_rad(1000, 2000) * (180.0 / M_PI) == Catch::Approx(90.f));
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CHECK(geom.Phi_rad(2000, 2000) * (180.0 / M_PI) == Catch::Approx(45.0f));
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}
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TEST_CASE("DiffractionGeometry_Cos2Theta","") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(75).IncidentEnergy_keV(WVL_1A_IN_KEV);
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x.BeamX_pxl(1000).BeamY_pxl(1000);
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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// det distance == 1000 pixel
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// theta = 30 deg
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// tan(2 * theta) = sqrt(3)
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REQUIRE(cosf(geom.TwoTheta_rad(1000, 1000 * (1.0 + sqrt(3)))) == Catch::Approx(0.5f));
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}
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TEST_CASE("DiffractionGeometry_PxlToRes","") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(75).IncidentEnergy_keV(WVL_1A_IN_KEV);
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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// sin(theta) = 1/2
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// theta = 30 deg
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// tan(2 * theta) = sqrt(3)
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REQUIRE(geom.PxlToRes( 0, 1000 * sqrt(3)) == Catch::Approx(1.0));
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// sin(theta) = 1/4
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// theta = 14.47 deg
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// tan(2 * theta) = 0.55328333517
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REQUIRE(geom.PxlToRes(1000 * 0.55328333517 * cosf(1), 1000 * 0.55328333517 * sinf(1)) == Catch::Approx(2.0));
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}
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TEST_CASE("DiffractionGeometry_ResToPxl","") {
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(75).IncidentEnergy_keV(WVL_1A_IN_KEV);
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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// sin(theta) = 1/2
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// theta = 30 deg
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// tan(2 * theta) = sqrt(3)
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REQUIRE(geom.ResToPxl(1.0) == Catch::Approx(1000 * sqrt(3)));
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// sin(theta) = 1/4
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// theta = 14.47 deg
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// tan(2 * theta) = 0.55328333517
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REQUIRE(geom.ResToPxl(2.0) == Catch::Approx(1000 * 0.55328333517));
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}
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TEST_CASE("DiffractionGeometry_SolidAngleCorrection","") {
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DiffractionExperiment x;
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x.IncidentEnergy_keV(WVL_1A_IN_KEV);
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x.BeamX_pxl(1000).BeamY_pxl(1000).DetectorDistance_mm(75);
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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REQUIRE(geom.CalcAzIntSolidAngleCorr(0.0) == 1.0f);
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REQUIRE(geom.CalcAzIntSolidAngleCorr(2 * M_PI) == Catch::Approx(0.5f * 0.5f * 0.5f));
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// theta = 30 deg
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// cos (2 * theta) = 1/2
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REQUIRE(geom.CalcAzIntSolidAngleCorr(1000, 1000) == 1.0f);
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REQUIRE(geom.CalcAzIntSolidAngleCorr(1000 * (1.0 + sqrt(3)), 1000) == Catch::Approx(0.5f * 0.5f * 0.5f));
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}
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TEST_CASE("DiffractionGeometry_PolarizationCorrection","") {
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DiffractionExperiment x;
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x.IncidentEnergy_keV(WVL_1A_IN_KEV);
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x.BeamX_pxl(1000).BeamY_pxl(1000).DetectorDistance_mm(75);
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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// Circular polarization 0.5*(1+cos(2theta)^2)
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x.PolarizationFactor(0);
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REQUIRE(geom.CalcAzIntPolarizationCorr(1000 * (1.0 + sqrt(3)), 1000, 0) == Catch::Approx(0.5f * (1 + 0.5f * 0.5f)));
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REQUIRE(geom.CalcAzIntPolarizationCorr(1000, 1000 * (1.0 + sqrt(3)), 0) == Catch::Approx(0.5f * (1 + 0.5f * 0.5f)));
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// Horizontal polarization
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x.PolarizationFactor(1);
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// No correction in vertical direction
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REQUIRE(geom.CalcAzIntPolarizationCorr(1000, 1000 * (1.0 + sqrt(3)), 1) == Catch::Approx(1.0f));
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REQUIRE(geom.CalcAzIntPolarizationCorr(1000, 1000 * (1.0 - sqrt(3)), 1) == Catch::Approx(1.0f));
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// cos(2*theta)^2 in horizontal direction
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REQUIRE(geom.CalcAzIntPolarizationCorr(1000 * (1.0 + sqrt(3)), 1000, 1) == Catch::Approx(0.5f * 0.5f));
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REQUIRE(geom.CalcAzIntPolarizationCorr(1000 * (1.0 - sqrt(3)), 1000, 1) == Catch::Approx(0.5f * 0.5f));
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}
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TEST_CASE("DiffractionGeometry_AngleFromEwaldSphere") {
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DiffractionGeometry geom;
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geom.Wavelength_A(1.0);
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// Center of Ewald sphere == (0,0,-1)
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// Points on Ewald sphere
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REQUIRE(geom.AngleFromEwaldSphere_deg(Coord(1, 0, -1)) == 0.0f);
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REQUIRE(geom.AngleFromEwaldSphere_deg(Coord(1.0f / sqrtf(2.0f), 1.0f / sqrtf(2.0f), -1)) == 0.0f);
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REQUIRE(geom.AngleFromEwaldSphere_deg(Coord(1, 0, 1)) == Catch::Approx(90.0f));
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REQUIRE(geom.AngleFromEwaldSphere_deg(Coord(-sqrtf(2.0f), 0, 0)) == Catch::Approx(45.0f));
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REQUIRE(geom.AngleFromEwaldSphere_deg(Coord(-sqrtf(3.0f), 0, 0)) == Catch::Approx(60.0f));
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float cos_1deg = cosf(1.0f * M_PI / 180.0f);
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float sin_1deg = sinf(1.0f * M_PI / 180.0f);
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REQUIRE(fabsf(geom.AngleFromEwaldSphere_deg((Coord(cos_1deg - sin_1deg, 0, -(cos_1deg + sin_1deg)))) - 1.0f) < 0.0005);
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// Cannot be rotated to fit into the Ewald sphere
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REQUIRE(isnanf(geom.AngleFromEwaldSphere_deg(Coord(0, 0, 1))));
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}
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TEST_CASE("DiffractionGeometry_AngleFromEwaldSphere_Wvl2A") {
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DiffractionGeometry geom;
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geom.BeamX_pxl(1000).BeamY_pxl(1000).DetectorDistance_mm(100).Wavelength_A(2.0);
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CHECK(geom.AngleFromEwaldSphere_deg(geom.DetectorToRecip(300,300)) < 0.05f);
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CHECK(geom.AngleFromEwaldSphere_deg(geom.DetectorToRecip(200,1700)) < 0.05f);
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CHECK(geom.AngleFromEwaldSphere_deg(geom.DetectorToRecip(1200,1800)) < 0.05f);
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CHECK(geom.AngleFromEwaldSphere_deg(geom.DetectorToRecip(1500,100)) < 0.05f);
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}
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TEST_CASE("DiffractionGeometry_DirectBeam") {
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DiffractionGeometry geom;
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geom.Wavelength_A(1.0);
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geom.BeamX_pxl(1230).BeamY_pxl(1450);
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auto [x, y] = geom.GetDirectBeam_pxl();
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REQUIRE(x == Catch::Approx(1230.0f));
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REQUIRE(y == Catch::Approx(1450.0f));
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}
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TEST_CASE("DiffractionGeometry_DirectBeam_RotZ") {
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DiffractionGeometry geom;
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geom.Wavelength_A(1.0);
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geom.BeamX_pxl(1230).BeamY_pxl(1450);
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geom.PoniRot3_rad(-M_PI_2);
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auto [x, y] = geom.GetDirectBeam_pxl();
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REQUIRE(x == Catch::Approx(1230.0f));
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REQUIRE(y == Catch::Approx(1450.0f));
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}
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TEST_CASE("DiffractionGeometry_DirectBeam_RotY") {
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DiffractionGeometry geom;
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geom.Wavelength_A(1.0);
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geom.DetectorDistance_mm(100);
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geom.PixelSize_mm(1.0);
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geom.BeamX_pxl(1230).BeamY_pxl(1450);
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geom.PoniRot2_rad(-M_PI_4); // 45 deg rotation
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auto [x, y] = geom.GetDirectBeam_pxl();
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CHECK(x == Catch::Approx(1230.0f)); // no Change for X
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CHECK(y >1450.0f);
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}
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TEST_CASE("DiffractionGeometry_PONI","") {
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/*
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poni_version: 2
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Detector: Eiger4M
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Detector_config: {}
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Distance: 1.0
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Poni1: 0.075
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Poni2: 0.150
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Rot1: 0.0
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Rot2: 0.0
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Rot3: 0.0
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Wavelength: 1e-10
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*/
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// PyFAI uses nm^-1 for Q?
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(1000).BeamX_pxl(2000).BeamY_pxl(1000).IncidentEnergy_keV(WVL_1A_IN_KEV);
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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float diff_800_400 = fabs(geom.PxlToQ( 800,400)*10.0 - 6.295358803860941);
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float diff_400_800 = fabs(geom.PxlToQ( 400,800)*10.0 - 7.554628215027982);
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float diff_1300_2000 = fabs(geom.PxlToQ( 1300,2000)*10.0 - 5.73479724964891);
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REQUIRE(diff_800_400 < 0.01);
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REQUIRE(diff_400_800 < 0.01);
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REQUIRE(diff_1300_2000 < 0.01);
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}
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TEST_CASE("DiffractionGeometry_PONI_phi","") {
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/*
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poni_version: 2
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Detector: Eiger4M
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Detector_config: {}
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Distance: 1.0
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Poni1: 0.075
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Poni2: 0.150
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Rot1: 0.0
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Rot2: 0.0
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Rot3: 0.0
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Wavelength: 1e-10
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*/
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// PyFAI uses nm^-1 for Q?
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(1000).BeamX_pxl(2000).BeamY_pxl(1000).IncidentEnergy_keV(WVL_1A_IN_KEV);
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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float phi_2000_0 = fabs(geom.Phi_rad(2000,0) - 2 * M_PI + 1.5702959937284997);
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float phi_2000_2000 = fabs(geom.Phi_rad(2000,2000) - 1.5702964938446844);
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float phi_0_1000 = fabs(geom.Phi_rad(0,1000) - 3.1413425992666903);
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float phi_2000_1300 = fabs(geom.Phi_rad(1300,2000) - 2.1809518509415025);
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CHECK(phi_2000_0 < 0.001);
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CHECK(phi_2000_2000 < 0.001);
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CHECK(phi_0_1000 < 0.001);
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CHECK(phi_2000_1300 < 0.001);
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}
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TEST_CASE("DiffractionGeometry_PONI_phi_rot3","") {
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/*
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poni_version: 2
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Detector: Eiger4M
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Detector_config: {}
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Distance: 1.0
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Poni1: 0.075
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Poni2: 0.150
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Rot1: 0.0
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Rot2: 0.0
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Rot3: 0.5
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Wavelength: 1e-10
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*/
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// PyFAI uses nm^-1 for Q?
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(1000).BeamX_pxl(2000).BeamY_pxl(1000).IncidentEnergy_keV(WVL_1A_IN_KEV)
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.PoniRot3_rad(0.5);
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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REQUIRE(geom.GetPoniRot3_rad() == Catch::Approx(0.5f));
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float phi_800_400 = fabs(geom.Phi_rad(800,400) - 3.105073518019684);
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float phi_2000_1300 = fabs(geom.Phi_rad(1300,2000) - 1.6809518509415027);
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CHECK(phi_800_400 < 0.001);
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CHECK(phi_2000_1300 < 0.001);
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}
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TEST_CASE("DiffractionGeometry_PONI_phi_rot1_rot2_rot3","") {
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/*
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poni_version: 2
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Detector: Eiger4M
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Detector_config: {}
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Distance: 1.0
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Poni1: 0.075
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Poni2: 0.150
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Rot1: 0.2
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Rot2: 0.1
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Rot3: 0.5
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Wavelength: 1e-10
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*/
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// PyFAI uses nm^-1 for Q?
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(1000).BeamX_pxl(2000).BeamY_pxl(1000).IncidentEnergy_keV(WVL_1A_IN_KEV)
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.PoniRot1_rad(0.2).PoniRot2_rad(-0.1).PoniRot3_rad(0.5);
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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REQUIRE(geom.GetPoniRot1_rad() == Catch::Approx(0.2f));
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REQUIRE(geom.GetPoniRot2_rad() == Catch::Approx(-0.1f));
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REQUIRE(geom.GetPoniRot3_rad() == Catch::Approx(0.5f));
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float phi_800_400 = fabs(geom.Phi_rad(800,400) - 2 * M_PI + 1.4175001633470816);
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float phi_2000_1300 = fabs(geom.Phi_rad(1300,2000) - 2 * M_PI + 0.6630282166663707);
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CHECK(phi_800_400 < 0.001);
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CHECK(phi_2000_1300 < 0.001);
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}
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TEST_CASE("DiffractionGeometry_PONI_rot1","") {
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/*
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poni_version: 2
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Detector: Eiger4M
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Detector_config: {}
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Distance: 1.0
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Poni1: 0.075
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Poni2: 0.150
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Rot1: 0.2
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Rot2: 0.0
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Rot3: 0.0
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Wavelength: 1e-10
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*/
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// PyFAI uses nm^-1 for Q?
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(1000).BeamX_pxl(2000).BeamY_pxl(1000).IncidentEnergy_keV(WVL_1A_IN_KEV);
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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geom.PoniRot1_rad(0.2);
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float diff_800_400 = fabs(geom.PxlToQ( 800,400)*10.0 - 7.471276390173706);
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float diff_400_800 = fabs(geom.PxlToQ( 400,800)*10.0 - 5.148411999405654);
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float diff_1300_2000 = fabs(geom.PxlToQ( 1300,2000)*10.0 - 10.37635963741911);
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CHECK(diff_800_400 < 0.01);
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CHECK(diff_400_800 < 0.01);
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CHECK(diff_1300_2000 < 0.01);
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}
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TEST_CASE("DiffractionGeometry_PONI_rot1_rot2","") {
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/*
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poni_version: 2
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Detector: Eiger4M
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Detector_config: {}
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Distance: 1.0
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Poni1: 0.075
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Poni2: 0.150
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Rot1: 0.2
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Rot2: 0.1
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Rot3: 0.0
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Wavelength: 1e-10
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*/
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// PyFAI uses nm^-1 for Q?
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(1000).BeamX_pxl(2000).BeamY_pxl(1000).IncidentEnergy_keV(WVL_1A_IN_KEV);
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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geom.PoniRot1_rad(0.2).PoniRot2_rad(-0.1);
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float diff_800_400 = fabs(geom.PxlToQ( 800,400)*10.0 - 11.412737079654118);
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float diff_400_800 = fabs(geom.PxlToQ( 400,800)*10.0 - 8.805012278158177);
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float diff_1300_2000 = fabs(geom.PxlToQ( 1300,2000)*10.0 - 9.363455481328781);
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CHECK(diff_800_400 < 0.01);
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CHECK(diff_400_800 < 0.01);
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CHECK(diff_1300_2000 < 0.01);
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}
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TEST_CASE("DiffractionGeometry_PyFAI_Solid_angle","") {
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/*
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poni_version: 2
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Detector: Eiger4M
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Detector_config: {}
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Distance: 0.2
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Poni1: 0.075
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Poni2: 0.150
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Rot1: 0.0
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Rot2: 0.0
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Rot3: 0.0
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Wavelength: 1e-10
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*/
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|
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// Not sure why, but PyFAI solidAngleArray doesn't take into account poni rotation (???)
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DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(200).BeamX_pxl(2000).BeamY_pxl(1000).IncidentEnergy_keV(WVL_1A_IN_KEV);
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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|
|
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float diff_100_100 = fabs(geom.CalcAzIntSolidAngleCorr( 100,100) - 0.4844596502755233);
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CHECK(diff_100_100 < 0.0002);
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|
|
|
float diff_400_800 = fabs(geom.CalcAzIntSolidAngleCorr( 400,800)- 0.6267921080721112);
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CHECK(diff_400_800 < 0.0002);
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|
}
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|
|
|
TEST_CASE("ResPhiToPxl") {
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|
DiffractionExperiment x(DetJF4M());
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x.DetectorDistance_mm(75).IncidentEnergy_keV(WVL_1A_IN_KEV);
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DiffractionGeometry geom = x.GetDiffractionGeometry();
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|
|
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auto out = geom.ResPhiToPxl(1.0, 0);
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CHECK(geom.PxlToRes(out.first, out.second) == Catch::Approx(1.0));
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CHECK(fabs(geom.Phi_rad(out.first, out.second)) < 0.001 );
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|
|
|
out = geom.ResPhiToPxl(1.0, M_PI);
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|
CHECK(geom.PxlToRes(out.first, out.second) == Catch::Approx(1.0));
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|
CHECK(fabs(geom.Phi_rad(out.first, out.second) - M_PI) < 0.001 );
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|
|
|
out = geom.ResPhiToPxl(2.0, 0.7567);
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|
CHECK(geom.PxlToRes(out.first, out.second) == Catch::Approx(2.0));
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|
CHECK(fabs(geom.Phi_rad(out.first, out.second) - 0.7567) < 0.001 );
|
|
}
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|
|
|
TEST_CASE("ResPhiToPxl_poni_rot") {
|
|
DiffractionExperiment x(DetJF4M());
|
|
x.DetectorDistance_mm(75).IncidentEnergy_keV(WVL_1A_IN_KEV);
|
|
DiffractionGeometry geom = x.GetDiffractionGeometry();
|
|
geom.PoniRot3_rad(0.5).PoniRot2_rad(-0.1).PoniRot2_rad(0.3);
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|
|
|
auto out = geom.ResPhiToPxl(1.0, 0);
|
|
CHECK(geom.PxlToRes(out.first, out.second) == Catch::Approx(1.0));
|
|
CHECK(fabs(geom.Phi_rad(out.first, out.second)) < 0.001 );
|
|
|
|
out = geom.ResPhiToPxl(1.0, M_PI);
|
|
CHECK(geom.PxlToRes(out.first, out.second) == Catch::Approx(1.0));
|
|
CHECK(fabs(geom.Phi_rad(out.first, out.second) - M_PI) < 0.001 );
|
|
|
|
out = geom.ResPhiToPxl(2.0, 0.7567);
|
|
CHECK(geom.PxlToRes(out.first, out.second) == Catch::Approx(2.0));
|
|
CHECK(fabs(geom.Phi_rad(out.first, out.second) - 0.7567) < 0.001 );
|
|
} |