MultiDomainCreator.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 +
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
#include "MantidCurveFitting/MultiDomainCreator.h"
#include "MantidAPI/JointDomain.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/MultiDomainFunction.h"
#include "MantidAPI/WorkspaceGroup.h"
#include "MantidAPI/WorkspaceProperty.h"
#include "MantidKernel/Logger.h"
 
#include <memory>
#include <sstream>
#include <stdexcept>
 
namespace Mantid::CurveFitting {
 
namespace {
Kernel::Logger g_log("MultiDomainCreator");
}
 
void MultiDomainCreator::setCreator(size_t i, IDomainCreator *creator) {
  m_creators[i] = std::shared_ptr<IDomainCreator>(creator);
}
 
bool MultiDomainCreator::hasCreator(size_t i) const { return static_cast<bool>(m_creators[i]); }
 
void MultiDomainCreator::createDomain(std::shared_ptr<API::FunctionDomain> &domain,
                                      std::shared_ptr<API::FunctionValues> &ivalues, size_t i0) {
  if (m_workspacePropertyNames.size() != m_creators.size()) {
    throw std::runtime_error("Cannot create JointDomain: number of workspaces does not match "
                             "the number of creators");
  }
  auto jointDomain = std::make_unique<API::JointDomain>();
  API::FunctionValues_sptr values;
  i0 = 0;
  for (auto &creator : m_creators) {
    if (!creator) {
      throw std::runtime_error("Missing domain creator");
    }
    API::FunctionDomain_sptr dom;
    creator->ignoreInvalidData(m_ignoreInvalidData);
    creator->createDomain(dom, values, i0);
    creator->separateCompositeMembersInOutput(m_outputCompositeMembers, m_convolutionCompositeMembers);
    jointDomain->addDomain(dom);
    i0 += dom->size();
  }
  domain.reset(jointDomain.release());
  ivalues = values;
}
 
void MultiDomainCreator::initFunction(API::IFunction_sptr function) {
  auto mdFunction = std::dynamic_pointer_cast<API::MultiDomainFunction>(function);
  if (mdFunction) {
    // loop over member functions and init them
    for (size_t iFun = 0; iFun < mdFunction->nFunctions(); ++iFun) {
      std::vector<size_t> domainIndices;
      // get domain indices for this function
      mdFunction->getDomainIndices(iFun, m_creators.size(), domainIndices);
      if (!domainIndices.empty()) {
        size_t index = domainIndices[0];
        if (index >= m_creators.size()) {
          std::stringstream msg;
          msg << "Domain index is out of range. (Function #" << iFun << ")";
          throw std::runtime_error(msg.str());
        }
        m_creators[index]->initFunction(mdFunction->getFunction(iFun));
      } else {
        g_log.warning() << "Function #" << iFun << " doesn't apply to any domain\n";
      }
    }
  } else {
    IDomainCreator::initFunction(function);
  }
}
 
std::shared_ptr<API::Workspace> MultiDomainCreator::createOutputWorkspace(
    const std::string &baseName, API::IFunction_sptr function, std::shared_ptr<API::FunctionDomain> domain,
    std::shared_ptr<API::FunctionValues> values, const std::string &outputWorkspacePropertyName) {
  UNUSED_ARG(domain);
  UNUSED_ARG(values);
 
  // split the function into independent parts
  std::vector<API::IFunction_sptr> functions = function->createEquivalentFunctions();
  // there must be as many parts as there are domains
  if (functions.size() != m_creators.size()) {
    throw std::runtime_error("Number of functions and domains don't match");
  }
 
  API::WorkspaceGroup_sptr outWS = API::WorkspaceGroup_sptr(new API::WorkspaceGroup());
 
  for (size_t i = 0; i < functions.size(); ++i) {
    std::string localName = baseName + "Workspace_" + std::to_string(i);
    auto fun = functions[i];
    auto creator = m_creators[i];
    std::shared_ptr<API::FunctionDomain> localDomain;
    std::shared_ptr<API::FunctionValues> localValues;
    fun->setUpForFit();
    creator->createDomain(localDomain, localValues);
    creator->initFunction(fun);
    auto ws = creator->createOutputWorkspace(localName, fun, localDomain, localValues, "");
    API::AnalysisDataService::Instance().addOrReplace(localName, ws);
    outWS->addWorkspace(ws);
  }
 
  if (!outputWorkspacePropertyName.empty()) {
    declareProperty(
        new API::WorkspaceProperty<API::WorkspaceGroup>(outputWorkspacePropertyName, "", Kernel::Direction::Output),
        "Name of the output Workspace holding resulting simulated spectrum");
    m_manager->setPropertyValue(outputWorkspacePropertyName, baseName + "Workspaces");
    m_manager->setProperty(outputWorkspacePropertyName, outWS);
  }
 
  return outWS;
}
 
} // namespace Mantid::CurveFitting