stage/include/ost/mol/alg/clash_score.hh
Go to the documentation of this file.00001 //------------------------------------------------------------------------------ 00002 // This file is part of the OpenStructure project <www.openstructure.org> 00003 // 00004 // Copyright (C) 2008-2011 by the OpenStructure authors 00005 // 00006 // This library is free software; you can redistribute it and/or modify it under 00007 // the terms of the GNU Lesser General Public License as published by the Free 00008 // Software Foundation; either version 3.0 of the License, or (at your option) 00009 // any later version. 00010 // This library is distributed in the hope that it will be useful, but WITHOUT 00011 // ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS 00012 // FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more 00013 // details. 00014 // 00015 // You should have received a copy of the GNU Lesser General Public License 00016 // along with this library; if not, write to the Free Software Foundation, Inc., 00017 // 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA 00018 //------------------------------------------------------------------------------ 00019 #ifndef OST_MOL_ALG_CLASH_SCORE_HH 00020 #define OST_MOL_ALG_CLASH_SCORE_HH 00021 00022 /* 00023 Author: Marco Biasini 00024 */ 00025 00026 #include <ost/mol/entity_view.hh> 00027 #include <ost/mol/entity_handle.hh> 00028 #include <ost/mol/alg/module_config.hh> 00029 00030 namespace ost { namespace mol { namespace alg { 00031 00037 00039 00040 00041 00042 00043 00044 Real DLLEXPORT_OST_MOL_ALG ClashScore(const mol::EntityView& ent_a, const mol::EntityView& ent_b); 00045 00047 Real DLLEXPORT_OST_MOL_ALG ClashScore(const mol::EntityHandle& ent_a, 00048 const mol::EntityView& ent_b); 00053 Real DLLEXPORT_OST_MOL_ALG ClashScore(const mol::AtomHandle& atom, 00054 const mol::EntityView& ent_b); 00055 00057 Real DLLEXPORT_OST_MOL_ALG StericEnergy(const geom::Vec3& pos1, Real r1, 00058 const geom::Vec3& pos2, Real r2); 00060 00065 }}} 00066 00067 #endif
