1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
|
//------------------------------------------------------------------------------
// 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>
using namespace boost::python;
#include <ost/mol/alg/clash_score.hh>
using namespace ost::mol::alg;
using namespace ost;
namespace {
Real (*clash_score_a)(const mol::EntityView&,
const mol::EntityView&)=&ClashScore;
Real (*clash_score_b)(const mol::EntityHandle&,
const mol::EntityView&)=&ClashScore;
Real (*clash_score_c)(const mol::AtomHandle&,
const mol::EntityView&)=&ClashScore;
}
void export_Clash()
{
def("ClashScore", clash_score_a);
def("ClashScore", clash_score_b);
def("ClashScore", clash_score_c);
}
|
