CopySample.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/CopySample.h"
#include "MantidAPI/IMDEventWorkspace.h"
#include "MantidAPI/Run.h"
#include "MantidGeometry/Crystal/OrientedLattice.h"
#include "MantidGeometry/Instrument/Goniometer.h"
#include "MantidGeometry/Instrument/SampleEnvironment.h"
#include "MantidGeometry/Objects/MeshObject.h"
#include "MantidGeometry/Objects/ShapeFactory.h"
#include "MantidKernel/EmptyValues.h"
#include "MantidKernel/EnabledWhenProperty.h"
#include "MantidKernel/Material.h"
 
namespace Mantid::Algorithms {
 
// Register the algorithm into the AlgorithmFactory
DECLARE_ALGORITHM(CopySample)
 
using namespace Mantid::API;
using namespace Mantid::Kernel;
using Geometry::IObject;
using Geometry::OrientedLattice;
using Geometry::SampleEnvironment;
 
//----------------------------------------------------------------------------------------------
void CopySample::init() {
  declareProperty(std::make_unique<WorkspaceProperty<Workspace>>("InputWorkspace", "", Direction::Input),
                  "An input workspace from wich to copy sample information.");
  declareProperty(std::make_unique<WorkspaceProperty<Workspace>>("OutputWorkspace", "", Direction::InOut),
                  "An output workspace to wich to copy sample information..");
  declareProperty(std::make_unique<PropertyWithValue<bool>>("CopyName", true, Direction::Input),
                  "Copy the name of the sample");
  declareProperty(std::make_unique<PropertyWithValue<bool>>("CopyMaterial", true, Direction::Input),
                  "Copy the material of the sample");
  declareProperty(std::make_unique<PropertyWithValue<bool>>("CopyEnvironment", true, Direction::Input),
                  "Copy the sample environment");
  declareProperty(std::make_unique<PropertyWithValue<bool>>("CopyShape", true, Direction::Input),
                  "Copy the sample shape");
  declareProperty(std::make_unique<PropertyWithValue<bool>>("CopyLattice", true, Direction::Input),
                  "Copy the sample oriented lattice");
  declareProperty(std::make_unique<PropertyWithValue<bool>>("CopyOrientationOnly", false, Direction::Input),
                  "Copy the U matrix only, if both origin and destination have "
                  "oriented lattices");
  setPropertySettings("CopyOrientationOnly",
                      std::make_unique<Kernel::EnabledWhenProperty>("CopyLattice", IS_EQUAL_TO, "1"));
  declareProperty(std::make_unique<PropertyWithValue<int>>("MDInputSampleNumber", 0, Direction::Input),
                  "The number of the sample to be copied from, for an MD workspace "
                  "(starting from 0)");
  declareProperty(std::make_unique<PropertyWithValue<int>>("MDOutputSampleNumber", EMPTY_INT(), Direction::Input),
                  "The number of the sample to be copied to for an MD "
                  "workspace (starting from 0). No number, or negative number, "
                  "means that it will copy to all samples");
}
 
std::map<std::string, std::string> CopySample::validateInputs() {
  std::map<std::string, std::string> result;
  const bool copyLattice = getProperty("CopyLattice");
  const bool copyOrientationOnly = getProperty("CopyOrientationOnly");
  if (copyOrientationOnly && !copyLattice) {
    result["CopyLattice"] = "Need to check CopyLattice if CopyOrientationOnly is checked";
  }
  return result;
}
 
//----------------------------------------------------------------------------------------------
void CopySample::exec() {
  Workspace_sptr inWS = this->getProperty("InputWorkspace");
  Workspace_sptr outWS = this->getProperty("OutputWorkspace");
 
  Sample sample;
  // get input sample
  MultipleExperimentInfos_sptr inMDWS = std::dynamic_pointer_cast<MultipleExperimentInfos>(inWS);
  if (inMDWS != nullptr) // it is an MD workspace
  {
    int inputSampleNumber = getProperty("MDInputSampleNumber");
    if (inputSampleNumber < 0) {
      g_log.warning() << "Number less then 0. Will use sample number 0 instead\n";
      inputSampleNumber = 0;
    }
    if (static_cast<uint16_t>(inputSampleNumber) > (inMDWS->getNumExperimentInfo() - 1)) {
      g_log.warning() << "Number greater than the number of last sample in the workspace ("
                      << (inMDWS->getNumExperimentInfo() - 1) << "). Will use sample number 0 instead\n";
      inputSampleNumber = 0;
    }
    sample = inMDWS->getExperimentInfo(static_cast<uint16_t>(inputSampleNumber))->sample();
  } else // peaks workspace or matrix workspace
  {
    ExperimentInfo_sptr ei = std::dynamic_pointer_cast<ExperimentInfo>(inWS);
    if (!ei)
      throw std::invalid_argument("Wrong type of input workspace");
    sample = ei->sample();
  }
 
  bool copyName = getProperty("CopyName");
  bool copyMaterial = getProperty("CopyMaterial");
  bool copyEnvironment = getProperty("CopyEnvironment");
  bool copyShape = getProperty("CopyShape");
  bool copyLattice = getProperty("CopyLattice");
  bool copyOrientation = getProperty("CopyOrientationOnly");
 
  // Sample copy;
  MultipleExperimentInfos_sptr outMDWS = std::dynamic_pointer_cast<MultipleExperimentInfos>(outWS);
  if (outMDWS != nullptr) {
    int outputSampleNumber = getProperty("MDOutputSampleNumber");
    if ((outputSampleNumber == EMPTY_INT()) || (outputSampleNumber < 0)) // copy to all samples
    {
      for (uint16_t i = 0; i < outMDWS->getNumExperimentInfo(); i++) {
        auto ei = outMDWS->getExperimentInfo(i);
        copyParameters(sample, ei->mutableSample(), copyName, copyMaterial, copyEnvironment, copyShape, copyLattice,
                       copyOrientation, ei->run().getGoniometer().getR());
      }
    } else // copy to a single sample
    {
      if (static_cast<uint16_t>(outputSampleNumber) > (outMDWS->getNumExperimentInfo() - 1)) {
        g_log.warning() << "Number greater than the number of last sample in "
                           "the workspace ("
                        << (outMDWS->getNumExperimentInfo() - 1) << "). Will use sample number 0 instead\n";
        outputSampleNumber = 0;
      }
      auto ei = outMDWS->getExperimentInfo(static_cast<uint16_t>(outputSampleNumber));
      copyParameters(sample, ei->mutableSample(), copyName, copyMaterial, copyEnvironment, copyShape, copyLattice,
                     copyOrientation, ei->run().getGoniometer().getR());
    }
  } else // peaks workspace or matrix workspace
  {
    ExperimentInfo_sptr ei = std::dynamic_pointer_cast<ExperimentInfo>(outWS);
    if (!ei)
      throw std::invalid_argument("Wrong type of output workspace");
    copyParameters(sample, ei->mutableSample(), copyName, copyMaterial, copyEnvironment, copyShape, copyLattice,
                   copyOrientation, ei->run().getGoniometer().getR());
  }
  this->setProperty("OutputWorkspace", outWS);
}
 
void CopySample::copyParameters(Sample &from, Sample &to, bool nameFlag, bool materialFlag, bool environmentFlag,
                                bool shapeFlag, bool latticeFlag, bool orientationOnlyFlag,
                                const Kernel::Matrix<double> &rotationMatrix) {
  if (nameFlag)
    to.setName(from.getName());
  if (environmentFlag) {
    to.setEnvironment(std::make_unique<SampleEnvironment>(from.getEnvironment()));
  }
  if (shapeFlag) {
    Material rhsMaterial;
    if (materialFlag) {
      rhsMaterial = from.getMaterial();
    } else {
      // Reset to lhs material
      rhsMaterial = to.getMaterial();
    }
    auto rhsObject = std::shared_ptr<IObject>(from.getShape().cloneWithMaterial(rhsMaterial));
 
    if (auto csgObj = std::dynamic_pointer_cast<Geometry::CSGObject>(rhsObject)) {
      // Rotate CSGObject by goniometer by editing XML, if possible for that shape
      std::string xml = csgObj->getShapeXML();
      xml = Geometry::ShapeFactory().addGoniometerTag(rotationMatrix, xml);
      rhsObject = Geometry::ShapeFactory().createShape(xml, false);
      rhsObject->setMaterial(rhsMaterial); // add back in Material
    }
    if (auto meshObj = std::dynamic_pointer_cast<Geometry::MeshObject>(rhsObject)) {
      // Rotate MeshObject by goniometer
      meshObj->rotate(rotationMatrix);
    }
 
    to.setShape(rhsObject);
    to.setGeometryFlag(from.getGeometryFlag());
    to.setHeight(from.getHeight());
    to.setThickness(from.getThickness());
    to.setWidth(from.getWidth());
  } else if (materialFlag) {
    auto lhsObject = std::shared_ptr<IObject>(to.getShape().cloneWithMaterial(from.getMaterial()));
    to.setShape(lhsObject);
  }
 
  if ((latticeFlag) && from.hasOrientedLattice()) {
    if (to.hasOrientedLattice() && orientationOnlyFlag) {
      to.getOrientedLattice().setU(from.getOrientedLattice().getU());
    } else {
      // copy over
      to.setOrientedLattice(std::make_unique<OrientedLattice>(from.getOrientedLattice()));
    }
  }
}
 
} // namespace Mantid::Algorithms