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mlrModel.h
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1 /* mlrModel.h
2  *
3  * Copyright (C) 2009 Marcel Schumann
4  *
5  * This file is part of QuEasy -- A Toolbox for Automated QSAR Model
6  * Construction and Validation.
7  * QuEasy is free software; you can redistribute it and/or modify
8  * it under the terms of the GNU General Public License as published by
9  * the Free Software Foundation; either version 3 of the License, or (at
10  * your option) any later version.
11  *
12  * QuEasy is distributed in the hope that it will be useful, but
13  * WITHOUT ANY WARRANTY; without even the implied warranty of
14  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
15  * General Public License for more details.
16  *
17  * You should have received a copy of the GNU General Public License
18  * along with this program; if not, see <http://www.gnu.org/licenses/>.
19  */
20 
21  // -*- Mode: C++; tab-width: 2; -*-
22 // vi: set ts=2:
23 //
24 //
25 
26 #ifndef MLRMODEL
27 #define MLRMODEL
28 
29 #ifndef LMODEL
30 #include <BALL/QSAR/linearModel.h>
31 #endif
32 
33 #ifndef QSAR_EXCEPTION
34 #include <BALL/QSAR/exception.h>
35 #endif
36 
37 
38 namespace BALL
39 {
40  namespace QSAR
41  {
43  {
44  public:
50  MLRModel(const QSARData& q);
51 
52  ~MLRModel();
54 
61  virtual void train();
63  };
64  }
65 }
66 
67 #endif // MLRMODEL