BALL
1.4.1
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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