OpenStructure
 All Data Structures Namespaces Files Functions Variables Typedefs Enumerations Enumerator Properties Friends Macros Groups Pages
contact_weight_matrix.hh
Go to the documentation of this file.
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_SEQ_CONTACT_WEIGHT_MATRIX_HH
20 #define OST_SEQ_CONTACT_WEIGHT_MATRIX_HH
21 
22 #include <map>
23 #include <vector>
24 
25 #include <ost/base.hh>
27 
28 /*
29  Author: Niklaus Johner
30  */
31 namespace ost { namespace seq { namespace alg {
32 
33 
36  std::vector <std::vector <Real> > weights;
37  std::vector <char> aa_list;
38  std::map<char,int> aa_dict;
39  int naa_;
40 
42  ContactWeightMatrix(std::vector <std::vector <Real> >,std::vector <char>);
43 };
44 
49 
50 }}}
51 
52 #endif
#define DLLEXPORT_OST_SEQ_ALG
std::vector< std::vector< Real > > weights
ContactWeightMatrix DLLEXPORT_OST_SEQ_ALG LoadDefaultContactWeightMatrix()
statistical potential matrix containing interaction pseudo energies
matrix to weight pairs of amino-acids.
ContactWeightMatrix DLLEXPORT_OST_SEQ_ALG LoadConstantContactWeightMatrix()
weight of 1 for all amino-acid pairs and 0 for gaps.