BALL: bayesModel.h Source File

00001 /* bayesModel.h
00002  * 
00003  * Copyright (C) 2009 Marcel Schumann
00004  * 
00005  * This file is part of QuEasy -- A Toolbox for Automated QSAR Model
00006  * Construction and Validation.
00007  * QuEasy is free software; you can redistribute it and/or modify
00008  * it under the terms of the GNU General Public License as published by
00009  * the Free Software Foundation; either version 3 of the License, or (at
00010  * your option) any later version.
00011  * 
00012  * QuEasy is distributed in the hope that it will be useful, but
00013  * WITHOUT ANY WARRANTY; without even the implied warranty of
00014  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
00015  * General Public License for more details.
00016  * 
00017  * You should have received a copy of the GNU General Public License
00018  * along with this program; if not, see <http://www.gnu.org/licenses/>.
00019  */
00020 
00021 // -*- Mode: C++; tab-width: 2; -*-
00022 // vi: set ts=2:
00023 //
00024 //
00025 
00026 
00027 #ifndef BAYESMODEL
00028 #define BAYESMODEL
00029 
00030 #include <BALL/QSAR/classificationModel.h>
00031 
00032 
00033 namespace BALL
00034 {
00035   namespace QSAR 
00036   {
00038     class BALL_EXPORT BayesModel : public ClassificationModel
00039     { 
00040       public: 
00041         
00042         BayesModel(const QSARData& q);
00043         
00044         virtual bool isTrained() = 0;
00045         
00048         virtual vector<double> calculateProbabilities(int activitiy_index, int feature_index, double feature_value) = 0;
00049         
00051         virtual int getNoResponseVariables() = 0;
00052       
00053         
00054       protected:
00056         double min_prob_diff_;
00057         
00059         double undef_act_class_id_;
00060   
00061     };
00062   }
00063 }
00064 
00065 #endif //BAYESMODEL