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Marco Biasini authored
the function takes a mapping from residues in an entity and a second and transfers bonds which are present in the source entity to the destination.
Marco Biasini authoredthe function takes a mapping from residues in an entity and a second and transfers bonds which are present in the source entity to the destination.
export_bond.cc 2.47 KiB
//------------------------------------------------------------------------------
// This file is part of the OpenStructure project <www.openstructure.org>
//
// Copyright (C) 2008-2011 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/suite/indexing/vector_indexing_suite.hpp>
using namespace boost::python;
#include <ost/mol/mol.hh>
using namespace ost;
using namespace ost::mol;
#include <ost/export_helper/generic_property_def.hh>
#include <ost/geom/export_helper/vector.hh>
void export_Bond()
{
class_<BondHandle> bond_handle("BondHandle", init<>());
bond_handle
.def("GetPos", &BondHandle::GetPos)
.add_property("pos", &BondHandle::GetPos)
.add_property("first",
make_function(&BondHandle::GetFirst))
.add_property("second",
make_function(&BondHandle::GetSecond))
.add_property("length",
&BondHandle::GetLength)
.add_property("bond_order",
&BondHandle::GetBondOrder,
&BondHandle::SetBondOrder)
.def("GetFirst", &BondHandle::GetFirst)
.def("GetSecond",&BondHandle::GetSecond)
.def("GetOther",&BondHandle::GetOther)
.def("GetLength",&BondHandle::GetLength)
.def("GetBondOrder",&BondHandle::GetBondOrder)
.def("SetBondOrder",&BondHandle::SetBondOrder)
.def("IsValid", &BondHandle::IsValid)
.def(self == self)
.def(self != self)
.def(self_ns::str(self))
;
generic_prop_def<BondHandle>(bond_handle);
class_<BondHandleList>("BondHandleList", no_init)
.def(vector_indexing_suite<BondHandleList>())
.def(geom::VectorAdditions<BondHandleList>());
def("BondExists", &BondExists);
}