SpaceGroupFactory.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 "MantidGeometry/Crystal/SpaceGroupFactory.h"
#include "MantidPythonInterface/core/GetPointer.h"
#include "MantidPythonInterface/core/PythonObjectInstantiator.h"
 
#include <boost/python/class.hpp>
 
using namespace Mantid::Geometry;
using namespace boost::python;
 
GET_POINTER_SPECIALIZATION(SpaceGroupFactoryImpl)
 
namespace {
using namespace Mantid::PythonInterface;
 
std::vector<std::string> allSpaceGroupSymbols(const SpaceGroupFactoryImpl &self) {
  return self.subscribedSpaceGroupSymbols();
}
 
std::vector<std::string> spaceGroupSymbolsForNumber(const SpaceGroupFactoryImpl &self, size_t number) {
  return self.subscribedSpaceGroupSymbols(number);
}
 
std::vector<std::string> spaceGroupSymbolsForPointGroup(SpaceGroupFactoryImpl &self,
                                                        const PointGroup_sptr &pointGroup) {
  return self.subscribedSpaceGroupSymbols(pointGroup);
}
 
bool isSubscribedSymbol(const SpaceGroupFactoryImpl &self, const std::string &symbol) {
  return self.isSubscribed(symbol);
}
 
bool isSubscribedNumber(const SpaceGroupFactoryImpl &self, size_t number) { return self.isSubscribed(number); }
 
SpaceGroup_sptr createSpaceGroup(SpaceGroupFactoryImpl &self, const std::string &symbol) {
  return std::const_pointer_cast<SpaceGroup>(self.createSpaceGroup(symbol));
}
} // namespace
 
void export_SpaceGroupFactory() {
 
  class_<SpaceGroupFactoryImpl, boost::noncopyable>("SpaceGroupFactoryImpl", no_init)
      .def("isSubscribedSymbol", &isSubscribedSymbol, (arg("self"), arg("symbol")),
           "Returns true if the space group the supplied symbol is subscribed.")
      .def("isSubscribedNumber", &isSubscribedNumber, (arg("self"), arg("number")),
           "Returns true if a space group with the given number is subscribed.")
      .def("createSpaceGroup", &createSpaceGroup, (arg("self"), arg("symbol")), "Creates a space group.")
      .def("getAllSpaceGroupSymbols", &allSpaceGroupSymbols, arg("self"), "Returns all subscribed space group symbols.")
      .def("getAllSpaceGroupNumbers", &SpaceGroupFactoryImpl::subscribedSpaceGroupNumbers, arg("self"),
           "Returns all subscribed space group numbers.")
      .def("subscribedSpaceGroupSymbols", &spaceGroupSymbolsForNumber, (arg("self"), arg("number")),
           "Returns all space group symbols that are registered under the "
           "given number.")
      .def("getSpaceGroupsForPointGroup", &spaceGroupSymbolsForPointGroup, (arg("self"), arg("pointGroup")))
      .def("Instance", &SpaceGroupFactory::Instance, return_value_policy<reference_existing_object>(),
           "Returns a reference to the SpaceGroupFactory singleton")
      .staticmethod("Instance");
}