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//------------------------------------------------------------------------------
// This file is part of the OpenStructure project <www.openstructure.org>
//
// Copyright (C) 2008-2024 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/alg/gdt.hh>
using namespace boost::python;
namespace{
boost::python::tuple WrapGDT(const geom::Vec3List& mdl_pos,
const geom::Vec3List& ref_pos,
int window_size, int max_windows,
Real distance_thresh) {
int n_superposed;
geom::Mat4 transform;
ost::mol::alg::GDT(mdl_pos, ref_pos, window_size, max_windows,
distance_thresh, n_superposed, transform);
return boost::python::make_tuple(n_superposed, transform);
}
} // ns
void export_GDT() {
def("GDT", &WrapGDT, (arg("mdl_pos"),
arg("ref_pos"),
arg("window_size"),
arg("max_windows"),
arg("distance_thresh")));
}
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