From 61141309dff34e17047fd172f44d7c0faf84a6a3 Mon Sep 17 00:00:00 2001
From: Roman Tolchenov <roman.tolchenov@stfc.ac.uk>
Date: Tue, 3 Apr 2018 15:10:36 +0100
Subject: [PATCH] Move detectors after summing. Re #21742
---
.../ReflectometryReductionOne2.h | 5 +
.../src/ReflectometryReductionOne2.cpp | 44 +++++++
.../test/ReflectometryReductionOne2Test.h | 113 ++++++++++++++++++
3 files changed, 162 insertions(+)
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/ReflectometryReductionOne2.h b/Framework/Algorithms/inc/MantidAlgorithms/ReflectometryReductionOne2.h
index 49a8f680da0..e5627b9f462 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/ReflectometryReductionOne2.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/ReflectometryReductionOne2.h
@@ -141,6 +141,10 @@ private:
void verifySpectrumMaps(API::MatrixWorkspace_const_sptr ws1,
API::MatrixWorkspace_const_sptr ws2,
const bool severe);
+ // Correct the detector angle
+ Mantid::API::MatrixWorkspace_sptr
+ correctDetectorAngle(Mantid::API::MatrixWorkspace_sptr inputWS);
+
// Find and cache constants
void findDetectorGroups();
@@ -162,6 +166,7 @@ private:
bool m_normaliseMonitors; // normalise by monitors and direct beam
bool m_normaliseTransmission; // transmission or algorithmic correction
bool m_sum; // whether to do summation
+ bool m_correctAngleInLambda; // whether to correct the angle of detectors
double m_theta0; // horizon angle
// groups of spectrum indices of the detectors of interest
std::vector<std::vector<size_t>> m_detectorGroups;
diff --git a/Framework/Algorithms/src/ReflectometryReductionOne2.cpp b/Framework/Algorithms/src/ReflectometryReductionOne2.cpp
index 28612fa314a..30e4667a32a 100644
--- a/Framework/Algorithms/src/ReflectometryReductionOne2.cpp
+++ b/Framework/Algorithms/src/ReflectometryReductionOne2.cpp
@@ -7,6 +7,7 @@
#include "MantidGeometry/Objects/BoundingBox.h"
#include "MantidHistogramData/LinearGenerator.h"
#include "MantidIndexing/IndexInfo.h"
+#include "MantidKernel/ListValidator.h"
#include "MantidKernel/MandatoryValidator.h"
#include "MantidKernel/StringTokenizer.h"
#include "MantidKernel/Unit.h"
@@ -361,6 +362,16 @@ void ReflectometryReductionOne2::init() {
"ThetaIn", Mantid::EMPTY_DBL(), Direction::Input),
"Angle in degrees");
+ // Angle correction type
+ const std::vector<std::string> correctionType{"VerticalShift",
+ "RotateAroundSample"};
+ auto correctionTypeValidator = boost::make_shared<StringListValidator>(correctionType);
+ declareProperty(
+ "DetectorCorrectionType", correctionType[0], correctionTypeValidator,
+ "Whether detectors should be shifted vertically or rotated around the "
+ "sample position if angle correction is applied.",
+ Direction::Input);
+
// Processing instructions
declareProperty(Kernel::make_unique<PropertyWithValue<std::string>>(
"ProcessingInstructions", "",
@@ -460,6 +471,8 @@ void ReflectometryReductionOne2::exec() {
m_normaliseMonitors = false;
m_sum = false;
}
+ // Angle correction must be done if ThetaIn is set
+ m_correctAngleInLambda = !(*getProperty("ThetaIn")).isDefault() && !summingInQ();
// Create the output workspace in wavelength
MatrixWorkspace_sptr IvsLam = makeIvsLam();
@@ -624,6 +637,10 @@ MatrixWorkspace_sptr ReflectometryReductionOne2::makeIvsLam() {
result = transOrAlgCorrection(result, true);
outputDebugWorkspace(result, wsName, "_norm_trans", debug, step);
}
+ if (m_correctAngleInLambda) {
+ g_log.debug("Correcting the angles\n");
+ result = correctDetectorAngle(result);
+ }
}
return result;
@@ -1334,5 +1351,32 @@ void ReflectometryReductionOne2::verifySpectrumMaps(
}
}
}
+
+/** Apply angle correction to the detectors.
+
+ @param inputWS [in] :: A workspace to correct.
+ @return :: The corrected workspace.
+ */
+Mantid::API::MatrixWorkspace_sptr
+ReflectometryReductionOne2::correctDetectorAngle(
+ Mantid::API::MatrixWorkspace_sptr inputWS) {
+ const auto detectorIDs = inputWS->getSpectrum(0).getDetectorIDs();
+ auto result = inputWS;
+ double const thetaIn = getProperty("ThetaIn");
+ double const twoTheta = 2.0 * thetaIn;
+ const std::string correctionType = getProperty("DetectorCorrectionType");
+ for (auto detectorID : detectorIDs) {
+ auto correctAngle = this->createChildAlgorithm("SpecularReflectionPositionCorrect");
+ correctAngle->initialize();
+ correctAngle->setProperty("InputWorkspace", result);
+ correctAngle->setProperty("TwoTheta", twoTheta);
+ correctAngle->setProperty("DetectorCorrectionType", correctionType);
+ correctAngle->setProperty("DetectorID", detectorID);
+ correctAngle->execute();
+ result = correctAngle->getProperty("OutputWorkspace");
+ }
+ return result;
+}
+
} // namespace Algorithms
} // namespace Mantid
diff --git a/Framework/Algorithms/test/ReflectometryReductionOne2Test.h b/Framework/Algorithms/test/ReflectometryReductionOne2Test.h
index 5ea8486ee85..5e637af2401 100644
--- a/Framework/Algorithms/test/ReflectometryReductionOne2Test.h
+++ b/Framework/Algorithms/test/ReflectometryReductionOne2Test.h
@@ -7,6 +7,8 @@
#include "MantidAPI/Axis.h"
#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/MatrixWorkspace.h"
+#include "MantidGeometry/Instrument.h"
+#include "MantidGeometry/Instrument/ReferenceFrame.h"
#include "MantidHistogramData/HistogramY.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
@@ -581,6 +583,82 @@ public:
TS_ASSERT_DELTA(outQ->y(0)[7], 2.607359, 1e-6);
}
+ void test_angle_correction() {
+ ReflectometryReductionOne2 alg;
+ setupAlgorithm(alg, 1.5, 15.0, "1+2");
+ alg.setProperty("ThetaIn", 22.0);
+ MatrixWorkspace_sptr outLam = runAlgorithmLam(alg);
+
+ TS_ASSERT_DELTA(outLam->y(0)[0], 4.0, 1e-14);
+ TS_ASSERT_DELTA(outLam->y(0)[7], 4.0, 1e-14);
+
+ auto detector = outLam->getDetector(0);
+ TS_ASSERT_DELTA(calculateTwoTheta(outLam, -1, detector), 44.0, 1e-14);
+ TS_ASSERT_DELTA(calculateTwoTheta(outLam, 2), 44.0, 1e-14);
+ TS_ASSERT_DELTA(calculateTwoTheta(outLam, 3), 44.0, 1e-14);
+
+ auto shift2 = calculateShift(m_multiDetectorWS, outLam, 2);
+ TS_ASSERT_DELTA(shift2.X(), 0, 1e-14);
+ TS_ASSERT_DELTA(shift2.Y(), -0.0715561259, 1e-10);
+ TS_ASSERT_DELTA(shift2.Z(), 0, 1e-14);
+
+ auto shift3 = calculateShift(m_multiDetectorWS, outLam, 3);
+ TS_ASSERT_DELTA(shift3.X(), 0, 1e-14);
+ TS_ASSERT_DELTA(shift3.Y(), -0.1715561259, 1e-10);
+ TS_ASSERT_DELTA(shift3.Z(), 0, 1e-14);
+ }
+
+ void test_angle_correction_multi() {
+ ReflectometryReductionOne2 alg;
+ setupAlgorithm(alg, 1.5, 15.0, "1:2");
+ alg.setProperty("ThetaIn", 22.0);
+ MatrixWorkspace_sptr outLam = runAlgorithmLam(alg, 14, 2);
+
+ TS_ASSERT_DELTA(outLam->y(0)[0], 2.0, 1e-14);
+ TS_ASSERT_DELTA(outLam->y(0)[7], 2.0, 1e-14);
+
+ auto detector = outLam->getDetector(0);
+ TS_ASSERT_DELTA(calculateTwoTheta(outLam, -1, detector), 44.0, 1e-14);
+ TS_ASSERT_DELTA(calculateTwoTheta(outLam, 2), 44.0, 1e-14);
+ TS_ASSERT_DELTA(calculateTwoTheta(outLam, 3), 45.0, 1e-14);
+
+ auto shift2 = calculateShift(m_multiDetectorWS, outLam, 2);
+ TS_ASSERT_DELTA(shift2.X(), 0, 1e-14);
+ TS_ASSERT_DELTA(shift2.Y(), -0.0715561259, 1e-10);
+ TS_ASSERT_DELTA(shift2.Z(), 0, 1e-14);
+
+ auto shift3 = calculateShift(m_multiDetectorWS, outLam, 3);
+ TS_ASSERT_DELTA(shift3.X(), 0, 1e-14);
+ TS_ASSERT_DELTA(shift3.Y(), 0, 1e-10);
+ TS_ASSERT_DELTA(shift3.Z(), 0, 1e-14);
+ }
+
+ void test_angle_correction_rotation() {
+ ReflectometryReductionOne2 alg;
+ setupAlgorithm(alg, 1.5, 15.0, "1+2");
+ alg.setProperty("ThetaIn", 22.0);
+ alg.setProperty("DetectorCorrectionType", "RotateAroundSample");
+ MatrixWorkspace_sptr outLam = runAlgorithmLam(alg);
+
+ TS_ASSERT_DELTA(outLam->y(0)[0], 4.0, 1e-14);
+ TS_ASSERT_DELTA(outLam->y(0)[7], 4.0, 1e-14);
+
+ auto detector = outLam->getDetector(0);
+ TS_ASSERT_DELTA(calculateTwoTheta(outLam, -1, detector), 44.0, 1e-13);
+ TS_ASSERT_DELTA(calculateTwoTheta(outLam, 2), 44.0, 1e-14);
+ TS_ASSERT_DELTA(calculateTwoTheta(outLam, 3), 44.0, 1e-14);
+
+ auto shift2 = calculateShift(m_multiDetectorWS, outLam, 2);
+ TS_ASSERT_DELTA(shift2.X(), 0.0358923903, 1e-10);
+ TS_ASSERT_DELTA(shift2.Y(), -0.0368952475, 1e-10);
+ TS_ASSERT_DELTA(shift2.Z(), 0, 1e-14);
+
+ auto shift3 = calculateShift(m_multiDetectorWS, outLam, 3);
+ TS_ASSERT_DELTA(shift3.X(), 0.0865005079, 1e-10);
+ TS_ASSERT_DELTA(shift3.Y(), -0.0880235564, 1e-10);
+ TS_ASSERT_DELTA(shift3.Z(), 0, 1e-14);
+ }
+
private:
// Do standard algorithm setup
void setupAlgorithm(ReflectometryReductionOne2 &alg,
@@ -661,6 +739,41 @@ private:
return outQ;
}
+
+ // Calculate the two theta angle of a detector
+ double calculateTwoTheta(MatrixWorkspace_sptr ws, Mantid::detid_t detid,
+ Mantid::Geometry::IDetector_const_sptr detector =
+ Mantid::Geometry::IDetector_const_sptr()) {
+ auto instrument = ws->getInstrument();
+ auto sample = instrument->getComponentByName("some-surface-holder");
+ if (!detector) {
+ detector = instrument->getDetector(detid);
+ }
+ auto detSample = detector->getPos() - sample->getPos();
+
+ auto refFrame = instrument->getReferenceFrame();
+
+ const double upoffset = refFrame->vecPointingUp().scalar_prod(detSample);
+ const double beamoffset =
+ refFrame->vecPointingAlongBeam().scalar_prod(detSample);
+
+ return std::atan2(upoffset, beamoffset) * 180 / M_PI;
+ }
+
+ // Calculate the shift in detector position
+ Mantid::Kernel::V3D calculateShift(MatrixWorkspace_sptr inputWS,
+ MatrixWorkspace_sptr outputWS,
+ Mantid::detid_t detid) {
+ auto inputInstrument = inputWS->getInstrument();
+ auto inputDetector = inputInstrument->getDetector(detid);
+ auto inPos = inputDetector->getPos();
+
+ auto outputInstrument = outputWS->getInstrument();
+ auto outputDetector = outputInstrument->getDetector(detid);
+ auto outPos = outputDetector->getPos();
+
+ return outPos - inPos;
+ }
};
#endif /* ALGORITHMS_TEST_REFLECTOMETRYREDUCTIONONE2TEST_H_ */
--
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