SortXAxis.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/SortXAxis.h"
#include "MantidAPI/Algorithm.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/WorkspaceProperty.h"
#include "MantidHistogramData/Histogram.h"
#include "MantidKernel/ListValidator.h"
#include "MantidKernel/System.h"
 
using namespace Mantid;
using namespace Mantid::API;
using namespace Mantid::Kernel;
using namespace Mantid::Algorithms;
using namespace Mantid::DataObjects;
using namespace Mantid::HistogramData;
 
namespace Mantid::Algorithms {
 
DECLARE_ALGORITHM(SortXAxis)
 
const std::string SortXAxis::name() const { return "SortXAxis"; }
 
int SortXAxis::version() const { return 1; }
 
const std::string SortXAxis::category() const { return "Transforms\\Axes;Utility\\Sorting"; }
 
const std::string SortXAxis::summary() const {
  return "Clones the input MatrixWorkspace(s) and orders the x-axis in an "
         "ascending or descending fashion.";
}
 
void SortXAxis::init() {
  declareProperty(std::make_unique<WorkspaceProperty<MatrixWorkspace>>("InputWorkspace", "", Direction::Input),
                  "Input Workspace");
 
  declareProperty(std::make_unique<WorkspaceProperty<MatrixWorkspace>>("OutputWorkspace", "", Direction::Output),
                  "Sorted Output Workspace");
 
  auto orderingValues = std::vector<std::string>({"Ascending", "Descending"});
  auto orderingValidator = std::make_shared<StringListValidator>(orderingValues);
  declareProperty("Ordering", orderingValues[0], orderingValidator, "Ascending or descending sorting",
                  Direction::Input);
}
 
void SortXAxis::exec() {
  MatrixWorkspace_const_sptr inputWorkspace = getProperty("InputWorkspace");
  MatrixWorkspace_sptr outputWorkspace = inputWorkspace->clone();
  // Check if it is a valid histogram here
  const bool isAProperHistogram = determineIfHistogramIsValid(*inputWorkspace);
 
  // Define everything you can outside of the for loop
  // Assume that all spec are the same size
  const auto sizeOfX = inputWorkspace->x(0).size();
 
  PARALLEL_FOR_IF(Kernel::threadSafe(*inputWorkspace, *outputWorkspace))
  for (int specNum = 0u; specNum < (int)inputWorkspace->getNumberHistograms(); specNum++) {
    PARALLEL_START_INTERRUPT_REGION
    auto workspaceIndices = createIndexes(sizeOfX);
 
    sortIndicesByX(workspaceIndices, getProperty("Ordering"), *inputWorkspace, specNum);
 
    copyToOutputWorkspace(workspaceIndices, *inputWorkspace, *outputWorkspace, specNum, isAProperHistogram);
    PARALLEL_END_INTERRUPT_REGION
  }
  PARALLEL_CHECK_INTERRUPT_REGION
 
  setProperty("OutputWorkspace", outputWorkspace);
}
 
std::vector<std::size_t> SortXAxis::createIndexes(const size_t sizeOfX) {
  std::vector<std::size_t> workspaceIndices;
  workspaceIndices.reserve(sizeOfX);
  for (auto workspaceIndex = 0u; workspaceIndex < sizeOfX; workspaceIndex++) {
    workspaceIndices.emplace_back(workspaceIndex);
  }
  return workspaceIndices;
}
 
template <typename Comparator>
void sortByXValue(std::vector<std::size_t> &workspaceIndices, const Mantid::API::MatrixWorkspace &inputWorkspace,
                  unsigned int specNum, Comparator const &compare) {
  std::sort(workspaceIndices.begin(), workspaceIndices.end(), [&](std::size_t lhs, std::size_t rhs) -> bool {
    return compare(inputWorkspace.x(specNum)[lhs], inputWorkspace.x(specNum)[rhs]);
  });
}
 
void SortXAxis::sortIndicesByX(std::vector<std::size_t> &workspaceIndices, const std::string &order,
                               const Mantid::API::MatrixWorkspace &inputWorkspace, unsigned int specNum) {
  if (order == "Ascending") {
    sortByXValue(workspaceIndices, inputWorkspace, specNum, std::less<double>());
  } else if (order == "Descending") {
    sortByXValue(workspaceIndices, inputWorkspace, specNum, std::greater<double>());
  }
}
 
void SortXAxis::copyXandDxToOutputWorkspace(const std::vector<std::size_t> &workspaceIndices,
                                            const Mantid::API::MatrixWorkspace &inputWorkspace,
                                            Mantid::API::MatrixWorkspace &outputWorkspace, unsigned int specNum) {
  // Move an ordered X to the output workspace
  for (auto workspaceIndex = 0u; workspaceIndex < inputWorkspace.x(specNum).size(); workspaceIndex++) {
    outputWorkspace.mutableX(specNum)[workspaceIndex] = inputWorkspace.x(specNum)[workspaceIndices[workspaceIndex]];
  }
 
  // If Dx's are present, move Dx's to the output workspace
  // If Dx's are present, move Dx's to the output workspace
  if (inputWorkspace.hasDx(specNum)) {
    for (auto workspaceIndex = 0u; workspaceIndex < inputWorkspace.dx(specNum).size(); workspaceIndex++) {
      outputWorkspace.mutableDx(specNum)[workspaceIndex] = inputWorkspace.dx(specNum)[workspaceIndices[workspaceIndex]];
    }
  }
}
 
void SortXAxis::copyYandEToOutputWorkspace(std::vector<std::size_t> &workspaceIndices,
                                           const Mantid::API::MatrixWorkspace &inputWorkspace,
                                           Mantid::API::MatrixWorkspace &outputWorkspace, unsigned int specNum,
                                           bool isAProperHistogram) {
  // If Histogram data find the biggest index value and remove it from
  // workspaceIndices
  if (isAProperHistogram) {
    auto lastIndexIt = std::find(workspaceIndices.begin(), workspaceIndices.end(), inputWorkspace.y(specNum).size());
    workspaceIndices.erase(lastIndexIt);
  }
 
  const auto &inSpaceY = inputWorkspace.y(specNum);
  for (auto workspaceIndex = 0u; workspaceIndex < inputWorkspace.y(specNum).size(); workspaceIndex++) {
    outputWorkspace.mutableY(specNum)[workspaceIndex] = inSpaceY[workspaceIndices[workspaceIndex]];
  }
 
  const auto &inSpaceE = inputWorkspace.e(specNum);
  for (auto workspaceIndex = 0u; workspaceIndex < inputWorkspace.e(specNum).size(); workspaceIndex++) {
    outputWorkspace.mutableE(specNum)[workspaceIndex] = inSpaceE[workspaceIndices[workspaceIndex]];
  }
}
 
void SortXAxis::copyToOutputWorkspace(std::vector<std::size_t> &workspaceIndices,
                                      const Mantid::API::MatrixWorkspace &inputWorkspace,
                                      Mantid::API::MatrixWorkspace &outputWorkspace, unsigned int specNum,
                                      bool isAProperHistogram) {
  copyXandDxToOutputWorkspace(workspaceIndices, inputWorkspace, outputWorkspace, specNum);
  copyYandEToOutputWorkspace(workspaceIndices, inputWorkspace, outputWorkspace, specNum, isAProperHistogram);
}
 
template <typename Comparator>
bool isItSorted(Comparator const &compare, const Mantid::API::MatrixWorkspace &inputWorkspace) {
  for (auto specNum = 0u; specNum < inputWorkspace.getNumberHistograms(); specNum++) {
    if (!std::is_sorted(inputWorkspace.x(specNum).begin(), inputWorkspace.x(specNum).end(),
                        [&](double lhs, double rhs) -> bool { return compare(lhs, rhs); })) {
      return false;
    }
  }
  return true;
}
 
bool SortXAxis::determineIfHistogramIsValid(const Mantid::API::MatrixWorkspace &inputWorkspace) {
  // Assuming all X and Ys are the same, if X is not the same size as y, assume
  // it is a histogram
  if (inputWorkspace.x(0).size() != inputWorkspace.y(0).size()) {
    // The only way to guarantee that a histogram is a proper histogram, is to
    // check whether each data value is in the correct order.
    if (!isItSorted(std::greater<double>(), inputWorkspace)) {
      if (!isItSorted(std::less<double>(), inputWorkspace)) {
        throw std::runtime_error("The data entered contains an invalid histogram: histogram has an "
                                 "unordered x-axis.");
      }
    }
    return true;
  }
  return false;
}
 
} // namespace Mantid::Algorithms