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_SEQ_CONTACT_WEIGHT_MATRIX_HH 00020 #define OST_SEQ_CONTACT_WEIGHT_MATRIX_HH 00021 00022 #include <map> 00023 #include <vector> 00024 00025 #include <ost/base.hh> 00026 #include <ost/seq/alg/module_config.hh> 00027 00028 /* 00029 Author: Niklaus Johner 00030 */ 00031 namespace ost { namespace seq { namespace alg { 00032 00033 00035 struct DLLEXPORT_OST_SEQ_ALG ContactWeightMatrix { 00036 std::vector <std::vector <Real> > weights; 00037 std::vector <char> aa_list; 00038 std::map<char,int> aa_dict; 00039 int naa_; 00040 00041 ContactWeightMatrix(); 00042 ContactWeightMatrix(std::vector <std::vector <Real> >,std::vector <char>); 00043 }; 00044 00046 ContactWeightMatrix DLLEXPORT_OST_SEQ_ALG LoadDefaultContactWeightMatrix(); 00048 ContactWeightMatrix DLLEXPORT_OST_SEQ_ALG LoadConstantContactWeightMatrix(); 00049 00050 }}} 00051 00052 #endif