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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 <ost/mol/mm/ff_reader.hh>
#include <ost/mol/residue_handle.hh>
using namespace boost::python;
using namespace ost::mol::mm;
void export_FFReader()
{
class_<ost::mol::mm::FFReader>("FFReader",init<String>())
.def("ReadGromacsForcefield",&ost::mol::mm::FFReader::ReadGromacsForcefield)
.def("SetPreprocessorDefinition",&ost::mol::mm::FFReader::SetPreprocessorDefinition,(arg("definition")))
.def("GetForcefield",&ost::mol::mm::FFReader::GetForcefield)
.def("SetForcefield",&ost::mol::mm::FFReader::SetForcefield,(arg("forcefield")))
.def("ReadResidueDatabase",&ost::mol::mm::FFReader::ReadResidueDatabase,(arg("basename")))
.def("ReadITP",&ost::mol::mm::FFReader::ReadITP,(arg("basename")))
.def("ReadCHARMMPRM",&ost::mol::mm::FFReader::ReadCHARMMPRM,(arg("basename")))
.def("ReadCHARMMRTF",&ost::mol::mm::FFReader::ReadCHARMMRTF,(arg("basename")))
;
boost::python::register_ptr_to_python<ost::mol::mm::FFReaderPtr>();
}
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