LoadDaveGrp.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 "MantidDataHandling/LoadDaveGrp.h"
#include "MantidAPI/FileProperty.h"
#include "MantidAPI/NumericAxis.h"
#include "MantidAPI/Progress.h"
#include "MantidAPI/RegisterFileLoader.h"
#include "MantidAPI/Run.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidKernel/ListValidator.h"
#include "MantidKernel/PropertyWithValue.h"
#include "MantidKernel/UnitFactory.h"
 
#include <algorithm>
#include <vector>
 
namespace Mantid::DataHandling {
DECLARE_FILELOADER_ALGORITHM(LoadDaveGrp)
 
LoadDaveGrp::LoadDaveGrp() : ifile(), line(), nGroups(0), xLength(0) {}
 
int LoadDaveGrp::confidence(Kernel::FileDescriptor &descriptor) const {
  const std::string &extn = descriptor.extension();
  if (extn != ".grp" && extn != ".sqe" && extn != ".txt" && extn != ".dat")
    return 0;
 
  if (!descriptor.isAscii())
    return 0;
 
  bool daveGrp(false);
  std::string curline;
 
  // First line is a comment: #
  std::getline(descriptor.data(), curline);
  if (curline.substr(0, 1) == "#") {
    daveGrp = true;
  } else
    return 0;
 
  // Second line is an integer
  std::getline(descriptor.data(), curline);
  unsigned int value;
  std::istringstream is(curline);
  is >> value;
  daveGrp = daveGrp && !is.fail();
 
  // Third line is a comment: #
  std::getline(descriptor.data(), curline);
  if (curline.substr(0, 1) != "#")
    return 0;
 
  // Fourth line is an integer
  std::getline(descriptor.data(), curline);
  // Clear all stream bits regardless of what happened before
  is.clear();
  is.str(curline);
  is >> value;
  daveGrp = daveGrp && !is.fail();
 
  if (daveGrp)
    return 80;
  else
    return 0;
}
 
void LoadDaveGrp::init() {
  std::vector<std::string> exts{".grp", ".sqe", ".txt", ".dat"};
 
  declareProperty(std::make_unique<API::FileProperty>("Filename", "", API::FileProperty::Load, exts),
                  "A DAVE grouped ASCII file");
  declareProperty(std::make_unique<API::WorkspaceProperty<>>("OutputWorkspace", "", Kernel::Direction::Output),
                  "The name of the workspace that will be created.");
 
  // Extract the current contents of the UnitFactory to be the allowed values
  // of the X-Axis property
  auto allowedUnits = std::make_shared<Kernel::StringListValidator>(Kernel::UnitFactory::Instance().getKeys());
  declareProperty("XAxisUnits", "DeltaE", allowedUnits,
                  "The name of the units for the X-Axis (must be one of "
                  "those registered in "
                  "the Unit Factory)");
  // Extract the current contents of the UnitFactory to be the allowed values
  // of the Y-Axis property
  declareProperty("YAxisUnits", "MomentumTransfer", allowedUnits,
                  "The name of the units for the Y-Axis (must be one of "
                  "those registered in "
                  "the Unit Factory)");
  declareProperty(std::make_unique<Kernel::PropertyWithValue<bool>>("IsMicroEV", false, Kernel::Direction::Input),
                  "Original file is in units of micro-eV for DeltaE");
  declareProperty(
      std::make_unique<Kernel::PropertyWithValue<bool>>("ConvertToHistogram", false, Kernel::Direction::Input),
      "Convert output workspace to histogram data.");
}
 
void LoadDaveGrp::exec() {
  const std::string filename = getProperty("Filename");
  std::vector<double> xAxis;
  std::vector<double> yAxis;
  API::MatrixWorkspace_sptr outputWorkspace;
 
  ifile.open(filename.c_str());
  if (ifile.is_open()) {
    try {
      // Size of x axis
      getAxisLength(xLength);
      // Size of y axis
      getAxisLength(nGroups);
    } catch (boost::bad_lexical_cast &) {
      throw std::runtime_error("LoadDaveGrp: Failed to parse axis length from file.");
    }
 
    outputWorkspace = setupWorkspace();
    // Read in the x axis values
    getAxisValues(xAxis, xLength);
    // Read in the y axis values
    getAxisValues(yAxis, nGroups);
    // Read in the data
    getData(outputWorkspace);
 
    ifile.close();
  } else {
    throw std::runtime_error("LoadDaveGrp: Failed to open file.");
  }
 
  // Scale the x-axis if it is in micro-eV to get it to meV
  const bool isUeV = getProperty("IsMicroEV");
  if (isUeV)
    std::transform(xAxis.cbegin(), xAxis.cend(), xAxis.begin(), [](const auto &value) { return value / 1000.0; });
 
  setWorkspaceAxes(outputWorkspace, xAxis, yAxis);
 
  // convert output workspace to histogram data
  const bool convertToHistogram = getProperty("ConvertToHistogram");
  if (convertToHistogram)
    outputWorkspace = convertWorkspaceToHistogram(outputWorkspace);
 
  outputWorkspace->mutableRun().addProperty("Filename", filename);
  setProperty("OutputWorkspace", outputWorkspace);
}
 
API::MatrixWorkspace_sptr LoadDaveGrp::setupWorkspace() const {
  // Create workspace
  API::MatrixWorkspace_sptr outputWorkspace = std::dynamic_pointer_cast<API::MatrixWorkspace>(
      API::WorkspaceFactory::Instance().create("Workspace2D", nGroups, xLength, xLength));
  // Force the workspace to be a distribution
  outputWorkspace->setDistribution(true);
  // Set the x-axis units
  outputWorkspace->getAxis(0)->unit() = Kernel::UnitFactory::Instance().create(getProperty("XAxisUnits"));
 
  auto verticalAxis = std::make_unique<API::NumericAxis>(nGroups);
  // Set the y-axis units
  verticalAxis->unit() = Kernel::UnitFactory::Instance().create(getProperty("YAxisUnits"));
 
  outputWorkspace->replaceAxis(1, std::move(verticalAxis));
  return outputWorkspace;
}
 
void LoadDaveGrp::setWorkspaceAxes(const API::MatrixWorkspace_sptr &workspace, const std::vector<double> &xAxis,
                                   const std::vector<double> &yAxis) const {
 
  auto verticalAxis = workspace->getAxis(1);
  auto sharedX = Kernel::make_cow<HistogramData::HistogramX>(xAxis);
  for (size_t i = 0; i < nGroups; i++) {
    workspace->setSharedX(i, sharedX);
    verticalAxis->setValue(i, yAxis.at(i));
  }
}
 
API::MatrixWorkspace_sptr LoadDaveGrp::convertWorkspaceToHistogram(API::MatrixWorkspace_sptr workspace) {
  auto convert2HistAlg = createChildAlgorithm("ConvertToHistogram");
  convert2HistAlg->setProperty("InputWorkspace", workspace);
  convert2HistAlg->setProperty("OutputWorkspace", workspace);
  convert2HistAlg->execute();
  workspace = convert2HistAlg->getProperty("OutputWorkspace");
 
  auto convertFromDistAlg = createChildAlgorithm("ConvertFromDistribution");
  convertFromDistAlg->setProperty("Workspace", workspace);
  convertFromDistAlg->execute();
 
  return workspace;
}
 
void LoadDaveGrp::readLine() { std::getline(ifile, line); }
 
void LoadDaveGrp::getAxisLength(size_t &length) {
  // Skip a comment line
  readLine();
  // Get the axis length from the file
  readLine();
  std::istringstream is(line);
  std::string strLength;
  is >> strLength;
 
  length = boost::lexical_cast<size_t>(strLength);
}
 
void LoadDaveGrp::getAxisValues(std::vector<double> &axis, const std::size_t length) {
  // Skip a comment line
  readLine();
  // Get the axis values from the file
  double value;
  for (std::size_t i = 0; i < length; i++) {
    readLine();
    std::istringstream is(line);
    is >> value;
    axis.emplace_back(value);
  }
}
 
void LoadDaveGrp::getData(const API::MatrixWorkspace_sptr &workspace) {
  double data_val = 0.0;
  double err_val = 0.0;
 
  API::Progress progress(this, 0.0, 1.0, nGroups);
 
  for (size_t j = 0; j < nGroups; j++) {
    // Skip the group comment line
    readLine();
    // Read the data block
    auto &dataY = workspace->mutableY(j);
    auto &dataE = workspace->mutableE(j);
 
    for (std::size_t k = 0; k < xLength; k++) {
      readLine();
      std::istringstream is(line);
      is >> data_val >> err_val;
      dataY[k] = data_val;
      dataE[k] = err_val;
    }
 
    progress.report();
  }
}
 
} // namespace Mantid::DataHandling