RingProfile.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/RingProfile.h"
#include "MantidAPI/IEventWorkspace.h"
#include "MantidAPI/NumericAxis.h"
#include "MantidAPI/SpectrumInfo.h"
#include "MantidAPI/TextAxis.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidKernel/ArrayBoundedValidator.h"
#include "MantidKernel/ArrayLengthValidator.h"
#include "MantidKernel/ArrayProperty.h"
#include "MantidKernel/BoundedValidator.h"
#include "MantidKernel/ListValidator.h"
#include "MantidKernel/UnitFactory.h"
#include <climits>
#include <cmath>
 
namespace Mantid::Algorithms {
 
// Register the algorithm into the AlgorithmFactory
DECLARE_ALGORITHM(RingProfile)
 
 
RingProfile::RingProfile()
    : min_radius(-1.), max_radius(-1), start_angle(-1), clockwise(false), num_bins(-1), centre_x(-1.), centre_y(-1.),
      centre_z(-1), bin_size(-1) {}
 
void RingProfile::init() {
  declareProperty(
      std::make_unique<API::WorkspaceProperty<API::MatrixWorkspace>>("InputWorkspace", "", Kernel::Direction::Input),
      "An input workspace.");
  declareProperty(std::make_unique<API::WorkspaceProperty<>>("OutputWorkspace", "", Kernel::Direction::Output),
                  "An output workspace.");
 
  auto twoOrThree = std::make_shared<Kernel::ArrayLengthValidator<double>>(2, 3);
  std::vector<double> myInput(3, 0);
  declareProperty(std::make_unique<Kernel::ArrayProperty<double>>("Centre", std::move(myInput), std::move(twoOrThree)),
                  "Coordinate of the centre of the ring");
  auto nonNegative = std::make_shared<Kernel::BoundedValidator<double>>();
  nonNegative->setLower(0);
 
  declareProperty<double>("MinRadius", 0, nonNegative->clone(), "Radius of the inner ring(m)");
  declareProperty(std::make_unique<Kernel::PropertyWithValue<double>>("MaxRadius", std::numeric_limits<double>::max(),
                                                                      std::move(nonNegative)),
                  "Radius of the outer ring(m)");
  auto nonNegativeInt = std::make_shared<Kernel::BoundedValidator<int>>();
  nonNegativeInt->setLower(1);
  declareProperty<int>("NumBins", 100, std::move(nonNegativeInt), "Number of slice bins for the output");
  auto degreesLimits = std::make_shared<Kernel::BoundedValidator<double>>();
  degreesLimits->setLower(-360);
  degreesLimits->setUpper(360);
  declareProperty<double>("StartAngle", 0, degreesLimits, "The angle to start from.");
 
  std::vector<std::string> op(2);
  op[0] = "ClockWise";
  op[1] = "Anti-ClockWise";
  declareProperty("Sense", "Anti-ClockWise", std::make_shared<Kernel::StringListValidator>(op),
                  "The direction of the integration around the ring");
}
 
//----------------------------------------------------------------------------------------------
void RingProfile::exec() {
  // get input workspace
  API::MatrixWorkspace_sptr inputWS = getProperty("InputWorkspace");
 
  // the RingProfile does not support eventworkspace
  auto checkEvent = std::dynamic_pointer_cast<API::IEventWorkspace>(inputWS);
  if (checkEvent) {
    throw std::invalid_argument("RingProfile is not defined for EventWorkspaces.");
  }
  g_log.debug() << "Get the input parameters \n";
  // get the algorithm parameters
  std::vector<double> centre = getProperty("Centre");
  centre_x = centre[0];
  centre_y = centre[1];
  if (centre.size() == 3)
    centre_z = centre[2];
  min_radius = getProperty("MinRadius");
  max_radius = getProperty("MaxRadius");
  start_angle = getProperty("StartAngle");
  num_bins = getProperty("NumBins");
  bin_size = 360.0 / num_bins;
  clockwise = (getPropertyValue("Sense") == "ClockWise");
 
  g_log.debug() << "Check the inputs of the algorithm\n";
  // VALIDATE THE INPUTS
  if (inputWS->getAxis(1)->isSpectra()) {
    checkInputsForSpectraWorkspace(inputWS);
  } else {
    checkInputsForNumericWorkspace(inputWS);
  }
 
  m_progress = std::shared_ptr<API::Progress>(new API::Progress(this, 0.0, 1.0, inputWS->getNumberHistograms() + 1));
 
  // prepare the vector to hold the output
  std::vector<double> output_bins(num_bins, 0);
 
  g_log.debug() << "Execute the ring profile calculation\n";
  // perform the ring profile calculation
  if (inputWS->getAxis(1)->isSpectra()) {
    processInstrumentRingProfile(inputWS, output_bins);
 
  } else {
    processNumericImageRingProfile(inputWS, output_bins);
  }
 
  g_log.debug() << "Prepare the output\n";
  // create the output
  API::MatrixWorkspace_sptr outputWS =
      API::WorkspaceFactory::Instance().create(inputWS, 1, output_bins.size() + 1, output_bins.size());
  m_progress->report("Preparing the output");
  // populate Y data getting the values from the output_bins
  MantidVec &refY = outputWS->dataY(0);
  if (clockwise) {
    for (size_t j = 0; j < output_bins.size(); j++)
      refY[j] = output_bins[output_bins.size() - j - 1];
  } else {
    for (size_t j = 0; j < output_bins.size(); j++)
      refY[j] = output_bins[j];
  }
 
  // prepare the output for the angles:
  // populate X data
  MantidVec &refX = outputWS->dataX(0);
 
  std::vector<double> angles(output_bins.size() + 1);
  // we always keep the angle in relative from where it starts and growing in
  // its sense.
  for (int j = 0; j < static_cast<int>(angles.size()); j++)
    refX[j] = bin_size * j;
 
  // configure the axis
 
  // the horizontal axis is configured as degrees and copy the values of X
  auto horizontal = std::make_unique<API::NumericAxis>(refX.size());
  horizontal->unit() = std::make_shared<Kernel::Units::Phi>();
  horizontal->title() = "Ring Angle";
  for (size_t j = 0; j < refX.size(); j++)
    horizontal->setValue(j, refX[j]);
  outputWS->replaceAxis(0, std::move(horizontal));
 
  // the vertical axis get the same unit and information from the input
  // workspace
  auto verticalAxis = std::make_unique<API::TextAxis>(1);
  verticalAxis->unit() = inputWS->getAxis(1)->unit();
  verticalAxis->title() = inputWS->getAxis(1)->title();
  outputWS->replaceAxis(1, std::move(verticalAxis));
 
  // set up the output
  setProperty("OutputWorkspace", outputWS);
}
 
void RingProfile::checkInputsForSpectraWorkspace(const API::MatrixWorkspace_sptr &inputWS) {
  try {
    // finding the limits of the instrument
    const auto &spectrumInfo = inputWS->spectrumInfo();
    double first_x, first_y, first_z;
    size_t i = 0;
    while (true) {
      i++;
      if (i >= inputWS->getNumberHistograms())
        throw std::invalid_argument("Did not find any non monitor detector position");
 
      if (spectrumInfo.isMonitor(i))
        continue;
      const auto pos = spectrumInfo.position(i);
      first_x = pos.X();
      first_y = pos.Y();
      first_z = pos.Z();
      break;
    }
 
    double last_x, last_y, last_z;
    i = inputWS->getNumberHistograms() - 1;
    while (true) {
      i--;
      if (i == 0)
        throw std::invalid_argument("There is no region defined for the instrument of this workspace");
 
      if (spectrumInfo.isMonitor(i))
        continue;
      const auto pos = spectrumInfo.position(i);
      last_x = pos.X();
      last_y = pos.Y();
      last_z = pos.Z();
      break;
    }
 
    double xMax, yMax, zMax;
    double xMin, yMin, zMin;
    xMax = std::max(first_x, last_x);
    yMax = std::max(first_y, last_y);
    zMax = std::max(first_z, last_z);
    xMin = std::min(first_x, last_x);
    yMin = std::min(first_y, last_y);
    zMin = std::min(first_z, last_z);
 
    std::stringstream limits_s;
    limits_s << "([" << xMin << ", " << xMax << "], [" << yMin << ", " << yMax << "], [" << zMin << ", " << zMax
             << "])";
    g_log.debug() << "The limits for the instrument is : " << limits_s.str() << '\n';
    int xOutside = 0, yOutside = 0, zOutside = 0;
    if (centre_x < xMin || centre_x > xMax)
      xOutside = 1;
    if (centre_y < yMin || centre_y > yMax)
      yOutside = 1;
    if (centre_z < zMin || centre_z > zMax)
      zOutside = 1;
    int summed = xOutside + yOutside + zOutside;
    // if at least 2 are outside, the centre is considered outside the box.
    if (summed >= 2) {
      std::stringstream s;
      s << "The defined centre (" << centre_x << ", " << centre_y << ", " << centre_z
        << ") is outside the limits of the detectors inside this instrument: " << limits_s.str();
      throw std::invalid_argument(s.str());
    }
 
    xOutside = yOutside = zOutside = 0;
    if (centre_x - min_radius > xMax || centre_x + min_radius < xMin)
      xOutside = 1;
    if (centre_y - min_radius > yMax || centre_y + min_radius < yMin)
      yOutside = 1;
    if (centre_z - min_radius > zMax || centre_z + min_radius < zMin)
      zOutside = 1;
 
    summed = xOutside + yOutside + zOutside;
 
    if (summed >= 2) {
      std::stringstream s;
      s << "The defined minRadius make the inner ring outside the limits of "
           "the detectors inside this instrument: "
        << limits_s.str();
      throw std::invalid_argument(s.str());
    }
 
  } catch (Kernel::Exception::NotFoundError &) {
    throw std::invalid_argument("Invalid input workspace. This workspace does "
                                "not has detectors to get the positions "
                                "from. ");
  }
}
 
void RingProfile::checkInputsForNumericWorkspace(const API::MatrixWorkspace_sptr &inputWS) {
  g_log.notice() << "CheckingInputs For Numeric Workspace\n";
 
  // The Axis0 is defined by the values of readX inside the spectra of the
  // workspace.
  // The limits of this axis will be get by inspection of the readX vector
  // taking the first
  // and the last value.
 
  // check that centre is inside the range available for the instrument
  const MantidVec &refX = inputWS->readX(inputWS->getNumberHistograms() / 2);
  // get the limits of the axis 0 (X)
  double min_v_x, max_v_x;
  min_v_x = std::min(refX[0], refX.back());
  max_v_x = std::max(refX[0], refX.back());
  g_log.notice() << "Limits X = " << min_v_x << " " << max_v_x << '\n';
  // check centre is inside the X domain
  if (centre_x < min_v_x || centre_x > max_v_x) {
    std::stringstream s;
    s << "The input value for centre (X=" << centre_x << ") is outside the limits of the instrument [" << min_v_x
      << ", " << max_v_x << "]";
    throw std::invalid_argument(s.str());
  }
 
  // The Axis1 is defined by the spectra inside the workspace. Its limits and
  // values are given by the
  // ws->getAxis(1)
 
  // get the limits of the axis1 (Y)
  API::NumericAxis *oldAxis2 = dynamic_cast<API::NumericAxis *>(inputWS->getAxis(1));
  // we cannot have the positions in Y direction without a NumericAxis
  if (!oldAxis2)
    throw std::invalid_argument("Vertical axis is not a numeric axis. If it is "
                                "a spectra axis try running "
                                "ConvertSpectrumAxis first.");
  double min_v_y = std::min(oldAxis2->getMin(), oldAxis2->getMax());
  double max_v_y = std::max(oldAxis2->getMin(), oldAxis2->getMax());
  g_log.notice() << "Limits Y = " << min_v_y << " " << max_v_y << '\n';
  // check centre is inside the Y domain
  if (centre_y < min_v_y || centre_y > max_v_y) {
    std::stringstream s;
    s << "The input value for centre (Y=" << centre_y << ") is outside the limits of the instrument [" << min_v_y
      << ", " << max_v_y << "]";
    throw std::invalid_argument(s.str());
  }
  g_log.notice() << "Centre: " << centre_x << "  " << centre_y << '\n';
  // check minradius is inside the limits of the region of the instrument
  if (centre_x - min_radius > max_v_x || centre_x + min_radius < min_v_x || centre_y - min_radius > max_v_y ||
      centre_y + min_radius < min_v_y)
    throw std::invalid_argument("The minimun radius is outside the region of the instrument");
}
 
void RingProfile::processInstrumentRingProfile(const API::MatrixWorkspace_sptr &inputWS,
                                               std::vector<double> &output_bins) {
 
  const auto &spectrumInfo = inputWS->spectrumInfo();
  for (int i = 0; i < static_cast<int>(inputWS->getNumberHistograms()); i++) {
    m_progress->report("Computing ring bins positions for detectors");
    // for the detector based, the positions will be taken from the detector
    // itself.
    if (!spectrumInfo.hasDetectors(i)) {
      g_log.information() << "Spectrum " << i << " has no detector assigned.\n";
      continue;
    }
 
    if (spectrumInfo.isMonitor(i))
      continue;
 
    // this part will be executed if the instrument is attached to the workspace
 
    // get the bin position
    int bin_n = getBinForPixel(spectrumInfo.position(i));
 
    if (bin_n < 0) // -1 is the agreement for an invalid bin, or outside the
                   // ring being integrated
      continue;
 
    g_log.debug() << "Bin for the index " << i << " = " << bin_n << " Pos = " << spectrumInfo.position(i) << '\n';
 
    const MantidVec &refY = inputWS->getSpectrum(i).dataY();
    // accumulate the values of this spectrum inside this bin
    for (double sp_ind : refY)
      output_bins[bin_n] += sp_ind;
  }
}
 
int RingProfile::getBinForPixel(const Kernel::V3D &position) {
 
  using Mantid::Kernel::V3D;
  V3D origin(centre_x, centre_y, centre_z);
  V3D diff_vector = position - origin;
  double radio, theta, phi;
  // get the spherical values of the vector from center to detector position
  diff_vector.getSpherical(radio, theta, phi);
 
  // the distance from the centre to the ring will be calculated as radio *
  // sin(theta).
  double effect_distance = radio * sin(theta * M_PI / 180);
 
  //    g_log.debug() << "effect Distance = " << effect_distance << '\n';
 
  // check if it is inside the ring defined by min_radius, max_radius
  if (effect_distance < min_radius || effect_distance > max_radius || effect_distance == 0)
    return -1;
 
  // get the angle
  // g_log.debug() << "The real angle is " << phi << '\n';
  return fromAngleToBin(phi);
}
 
void RingProfile::processNumericImageRingProfile(const API::MatrixWorkspace_sptr &inputWS,
                                                 std::vector<double> &output_bins) {
  // allocate the bin positions vector
  std::vector<int> bin_n(inputWS->dataY(0).size(), -1);
 
  // consider that each spectrum is a row in the image
  for (int i = 0; i < static_cast<int>(inputWS->getNumberHistograms()); i++) {
    m_progress->report("Computing ring bins positions for pixels");
    // get bin for the pixels inside this spectrum
    // for each column of the image
    getBinForPixel(inputWS, i, bin_n);
 
    // accumulate the values from the spectrum to the target bin
    // each column has it correspondend bin_position inside bin_n
    const MantidVec &refY = inputWS->dataY(i);
    for (size_t j = 0; j < bin_n.size(); j++) {
 
      // is valid bin? No -> skip
      if (bin_n[j] < 0)
        continue;
 
      // accumulate the values of this spectrum inside this bin
      output_bins[bin_n[j]] += refY[j];
    }
  }
}
 
void RingProfile::getBinForPixel(const API::MatrixWorkspace_sptr &ws, int spectrum_index, std::vector<int> &bins_pos) {
 
  if (bins_pos.size() != ws->dataY(spectrum_index).size())
    throw std::runtime_error("Invalid bin positions vector");
 
  API::NumericAxis *oldAxis2 = dynamic_cast<API::NumericAxis *>(ws->getAxis(1));
  // assumption y position is the ws->getAxis(1)(spectrum_index)
  if (!oldAxis2) {
    throw std::logic_error("Failed to cast workspace axis to NumericAxis");
  }
 
  // calculate ypos, the difference of y - centre and  the square of this
  // difference
  double ypos = (*oldAxis2)(spectrum_index);
  double diffy = ypos - centre_y;
  double diffy_quad = pow(diffy, 2.0);
 
  // the reference to X bins (the limits for each pixel in the horizontal
  // direction)
  auto xvec = ws->dataX(spectrum_index);
 
  // for each pixel inside this row
  for (size_t i = 0; i < xvec.size() - 1; i++) {
 
    double xpos = (xvec[i] + xvec[i + 1]) / 2.0; // the x position is the centre of the bins boundaries
    double diffx = xpos - centre_x;
    // calculate the distance => norm of pixel position - centre
    double distance = sqrt(pow(diffx, 2.0) + diffy_quad);
 
    // check if the distance is inside the ring
    if (distance < min_radius || distance > max_radius || distance == 0) {
      bins_pos[i] = -1;
      continue;
    }
 
    double angle = atan2(diffy, diffx);
 
    // call fromAngleToBin (radians)
    bins_pos[i] = fromAngleToBin(angle, false);
  }
}
 
/* Return the bin position for a given angle.
 *
 * The whole ring has 360 degree which is divided in NumBins bins.
 * Hence, defining the bin_size as 360/NumBins, you have the dimension
 * of each bin. This means, that the bins will follow the following rule:
 *
 * Bins(n) = [startAngle + n * bin_size, startAngle + (n+1) * bin_size]
 *
 * Having a given angle x, we need to find n so that:
 *
 *  startAngle + n bin_size < x < startAngle + (n+1) bin_size
 *  n bin_size < x-startAngle < (n+1) bin_size
 *  n < (x-startAngle)/bin_size < n+1
 *
 * So, n = truncate (x-startAngle)/bin_size
 *
 * @param angle: the input angle
 * @param degree: flag that indicates that the input angle is in degree (default
 *= true)
 * @return n
 */
int RingProfile::fromAngleToBin(double angle, bool degree) {
  if (!degree)
    angle *= (180 / M_PI);
 
  angle -= start_angle;
 
  if (angle < 0) {
    while (angle < 0)
      angle += 360;
  }
 
  angle /= bin_size;
  return static_cast<int>(angle);
}
 
} // namespace Mantid::Algorithms