MayersSampleCorrection.cpp

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2018 ISIS Rutherford Appleton Laboratory UKRI,
//   NScD Oak Ridge National Laboratory, European Spallation Source,
//   Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
// SPDX - License - Identifier: GPL - 3.0 +
#include "MantidAlgorithms/SampleCorrections/MayersSampleCorrection.h"
#include "MantidAPI/InstrumentValidator.h"
#include "MantidAPI/Sample.h"
#include "MantidAPI/SampleValidator.h"
#include "MantidAPI/SpectrumInfo.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidAPI/WorkspaceUnitValidator.h"
#include "MantidAlgorithms/SampleCorrections/MayersSampleCorrectionStrategy.h"
#include "MantidGeometry/IDetector.h"
#include "MantidGeometry/Instrument.h"
#include "MantidGeometry/Instrument/ReferenceFrame.h"
#include "MantidGeometry/Objects/IObject.h"
#include "MantidKernel/CompositeValidator.h"
#include "MantidKernel/Material.h"
 
#include <cmath>
 
namespace Mantid::Algorithms {
 
using API::MatrixWorkspace_sptr;
using Geometry::IDetector_const_sptr;
using Kernel::Direction;
using Kernel::V3D;
 
// Register the algorithm into the AlgorithmFactory
DECLARE_ALGORITHM(MayersSampleCorrection)
 
 
MayersSampleCorrection::MayersSampleCorrection() : API::Algorithm() {}
 
const std::string MayersSampleCorrection::name() const { return "MayersSampleCorrection"; }
 
int MayersSampleCorrection::version() const { return 1; }
 
const std::string MayersSampleCorrection::category() const { return "CorrectionFunctions\\AbsorptionCorrections"; }
 
const std::string MayersSampleCorrection::summary() const {
  return "Corrects the input data for the effects of attenuation & multiple "
         "scattering";
}
 
void MayersSampleCorrection::init() {
  using API::WorkspaceProperty;
  // Inputs
  declareProperty(
      std::make_unique<WorkspaceProperty<>>("InputWorkspace", "", Direction::Input, createInputWSValidator()),
      "Input workspace with X units in TOF. The workspace must "
      "also have a sample with a cylindrical shape and an "
      "instrument with a defined source and sample position.");
  declareProperty("MultipleScattering", false,
                  "If True then also correct for the effects of multiple scattering."
                  "Please note that the MS correction assumes the scattering is elastic.",
                  Direction::Input);
  declareProperty("MSEvents", 10000,
                  "Controls the number of second-scatter "
                  "events generated. Only applicable where "
                  "MultipleScattering=True.",
                  Direction::Input);
  declareProperty("MSRuns", 10,
                  "Controls the number of simulations, each containing "
                  "MSEvents, performed. The final MS correction is "
                  "computed as the average over the runs. Only applicable"
                  "where MultipleScattering=True.",
                  Direction::Input);
  // Outputs
  declareProperty(std::make_unique<WorkspaceProperty<>>("OutputWorkspace", "", Direction::Output),
                  "An output workspace.");
}
 
void MayersSampleCorrection::exec() {
  using API::Progress;
  using API::WorkspaceFactory;
 
  MatrixWorkspace_sptr inputWS = getProperty("InputWorkspace");
  const bool mscatOn = getProperty("MultipleScattering");
  const int msEvents = getProperty("MSEvents");
  const int msRuns = getProperty("MSRuns");
 
  MatrixWorkspace_sptr outputWS = WorkspaceFactory::Instance().create(inputWS);
  // Instrument constants
  auto instrument = inputWS->getInstrument();
  const auto frame = instrument->getReferenceFrame();
 
  // Sample
  const auto &sampleShape = inputWS->sample().getShape();
  // Current Object code computes quite an inaccurate bounding box so we do
  // something better for the time being
  const double big(100.); // seems to be a sweet spot...
  double minX(-big), maxX(big), minY(-big), maxY(big), minZ(-big), maxZ(big);
  sampleShape.getBoundingBox(maxX, maxY, maxZ, minX, minY, minZ);
  V3D boxWidth(maxX - minX, maxY - minY, maxZ - minZ);
  const double radius(0.5 * boxWidth[frame->pointingHorizontal()]), height(boxWidth[frame->pointingUp()]);
  const auto &sampleMaterial = sampleShape.material();
 
  const size_t nhist(inputWS->getNumberHistograms());
  Progress prog(this, 0.0, 1.0, nhist);
  prog.setNotifyStep(0.01);
 
  const auto &spectrumInfo = inputWS->spectrumInfo();
 
  PARALLEL_FOR_IF(Kernel::threadSafe(*inputWS, *outputWS))
  for (int64_t i = 0; i < static_cast<int64_t>(nhist); ++i) {
    PARALLEL_START_INTERRUPT_REGION
 
    if (!spectrumInfo.hasDetectors(i) || spectrumInfo.isMonitor(i) || spectrumInfo.isMasked(i) ||
        spectrumInfo.l2(i) == 0) {
      continue;
    }
 
    MayersSampleCorrectionStrategy::Parameters params;
    params.mscat = mscatOn;
    params.l1 = spectrumInfo.l1();
    params.l2 = spectrumInfo.l2(i);
    params.twoTheta = spectrumInfo.twoTheta(i);
    // Code requires angle above/below scattering plane not our definition of
    // phi
    const auto pos = spectrumInfo.position(i);
    // Theta here is the angle between beam and neutron path not necessarily
    // twoTheta if sample not at origin
    double _(0.0), theta(0.0), phi(0.0);
    pos.getSpherical(_, theta, phi);
    params.azimuth = asin(sin(theta) * sin(phi));
    params.rho = sampleMaterial.numberDensityEffective();
    params.sigmaAbs = sampleMaterial.absorbXSection();
    params.sigmaSc = sampleMaterial.totalScatterXSection();
    params.cylRadius = radius;
    params.cylHeight = height;
    params.msNEvents = static_cast<size_t>(msEvents);
    params.msNRuns = static_cast<size_t>(msRuns);
 
    MayersSampleCorrectionStrategy correction(params, inputWS->histogram(i));
    outputWS->setHistogram(i, correction.getCorrectedHisto());
    prog.report();
 
    PARALLEL_END_INTERRUPT_REGION
  }
  PARALLEL_CHECK_INTERRUPT_REGION
 
  setProperty("OutputWorkspace", outputWS);
}
 
//------------------------------------------------------------------------------
// Private members
//------------------------------------------------------------------------------
Kernel::IValidator_sptr MayersSampleCorrection::createInputWSValidator() const {
  using API::InstrumentValidator;
  using API::SampleValidator;
  using API::WorkspaceUnitValidator;
  using Kernel::CompositeValidator;
  auto validator = std::make_shared<CompositeValidator>();
 
  unsigned int requires = (InstrumentValidator::SamplePosition | InstrumentValidator::SourcePosition);
  validator->add<InstrumentValidator, unsigned int>(requires);
 
  requires = (SampleValidator::Shape | SampleValidator::Material);
  validator->add<SampleValidator, unsigned int>(requires);
 
  // NOTE: Mayers correction requires the input to be of TOF
  validator->add<WorkspaceUnitValidator>("TOF");
 
  return validator;
}
 
} // namespace Mantid::Algorithms