29 #ifndef BALL_QSAR_COMMON_H
57 EIGEN_MAKE_ALIGNED_OPERATOR_NEW
66 Eigen::VectorXd predict(
const vector<double>& substance,
bool transform=1);
68 void saveToFile(
string filename);
70 void readFromFile(
string filename);
72 vector<double> getParameters()
const;
74 void setParameters(vector<double>& v);
78 vector<double> calculateProbabilities(
int activitiy_index,
int feature_index,
double feature_value);
80 int getNoResponseVariables();
89 unsigned int discretization_steps_;
93 Eigen::MatrixXd min_max_;
97 vector<MatrixVector, Eigen::aligned_allocator<MatrixVector> > probabilities_;
-*- Mode: C++; tab-width: 2; -*-