linearModel.h

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/* linearModel.h
 * 
 * Copyright (C) 2009 Marcel Schumann
 * 
 * This file is part of QuEasy -- A Toolbox for Automated QSAR Model
 * Construction and Validation.
 * QuEasy is free software; you can redistribute it and/or modify
 * it under the terms of the GNU General Public License as published by
 * the Free Software Foundation; either version 3 of the License, or (at
 * your option) any later version.
 * 
 * QuEasy is distributed in the hope that it will be useful, but
 * WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
 * General Public License for more details.
 * 
 * You should have received a copy of the GNU General Public License
 * along with this program; if not, see <http://www.gnu.org/licenses/>.
 */

// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// 

#ifndef LMODEL
#define LMODEL

#ifndef REGRESSION
#include <BALL/QSAR/regressionModel.h>
#endif

namespace BALL
{
  namespace QSAR
  {
    class BALL_EXPORT LinearModel : public RegressionModel
    {
    
      public: 
        LinearModel(const QSARData& q);
    
        ~LinearModel();
        
        virtual void operator=(const LinearModel& m);
        
        
        
        virtual Vector<double> predict(const vector<double>& substance, bool transform=1);
  
      protected:
        void calculateOffsets();
    };
  }
}

#endif // LMODEL