OpenStructure
clash_score.hh
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1 //------------------------------------------------------------------------------
2 // This file is part of the OpenStructure project <www.openstructure.org>
3 //
4 // Copyright (C) 2008-2011 by the OpenStructure authors
5 //
6 // This library is free software; you can redistribute it and/or modify it under
7 // the terms of the GNU Lesser General Public License as published by the Free
8 // Software Foundation; either version 3.0 of the License, or (at your option)
9 // any later version.
10 // This library is distributed in the hope that it will be useful, but WITHOUT
11 // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
12 // FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
13 // details.
14 //
15 // You should have received a copy of the GNU Lesser General Public License
16 // along with this library; if not, write to the Free Software Foundation, Inc.,
17 // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
18 //------------------------------------------------------------------------------
19 #ifndef OST_QA_CLASH_SCORE_HH
20 #define OST_QA_CLASH_SCORE_HH
21 
22 /*
23  Author: Marco Biasini
24  */
25 
26 #include <ost/mol/entity_view.hh>
27 #include <ost/mol/entity_handle.hh>
28 #include <ost/qa/module_config.hh>
29 
30 namespace ost { namespace qa {
31 
37 
39 
40 
41 
42 
43 
44 Real DLLEXPORT_OST_QA ClashScore(const mol::EntityView& ent_a, const mol::EntityView& ent_b);
45 
47 Real DLLEXPORT_OST_QA ClashScore(const mol::EntityHandle& ent_a,
48  const mol::EntityView& ent_b);
53 Real DLLEXPORT_OST_QA ClashScore(const mol::AtomHandle& atom,
54  const mol::EntityView& ent_b);
55 
58  const geom::Vec3& pos2, Real r2);
60 
65 }}
66 
67 #endif