File: export_conop.cc

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//------------------------------------------------------------------------------
// This file is part of the OpenStructure project <www.openstructure.org>
//
// Copyright (C) 2008-2020 by the OpenStructure authors
//
// This library is free software; you can redistribute it and/or modify it under
// the terms of the GNU Lesser General Public License as published by the Free
// Software Foundation; either version 3.0 of the License, or (at your option)
// any later version.
// This library is distributed in the hope that it will be useful, but WITHOUT
// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
// FOR A PARTICULAR PURPOSE.  See the GNU Lesser General Public License for more
// details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with this library; if not, write to the Free Software Foundation, Inc.,
// 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA
//------------------------------------------------------------------------------
#include <boost/python.hpp>
#include <boost/python/register_ptr_to_python.hpp>
#include <boost/python/suite/indexing/vector_indexing_suite.hpp>
using namespace boost::python;
#include <ost/conop/conop.hh>
#include <ost/mol/mol.hh>

using namespace ost::conop;

void destroy_compound_lib() {
  Conopology::Instance().SetDefaultLib(CompoundLibPtr());
}

void export_Conop() {
  class_<Conopology, boost::noncopyable>("Conopology", no_init)
    .def("Instance", &Conopology::Instance, 
         return_value_policy<reference_existing_object>()).staticmethod("Instance")
    .def("SetDefaultLib", &Conopology::SetDefaultLib)
    .def("GetDefaultLib", &Conopology::GetDefaultLib)
    ;

  // we need to make sure there are no pending references to Python objects
  // tied to the Conopology singleton instance. The destructor of the 
  // Conopology may be called after Python is shutdown which results  in a 
  // segfault.
  scope().attr("__dict__")["atexit"]=handle<>(PyImport_ImportModule("atexit"));

  def("_destroy_compound_lib", &destroy_compound_lib);
  object r=scope().attr("_destroy_compound_lib");
  scope().attr("atexit").attr("register")(r);

}