29 #ifndef BALL_QSAR_COMMON_H
63 Eigen::VectorXd predict(
const vector<double>& substance,
bool transform=1);
65 vector<double> getParameters()
const;
67 void setParameters(vector<double>& v);
69 void saveToFile(
string filename);
73 void readFromFile(
string filename);
77 vector<double> calculateProbabilities(
int activitiy_index,
int feature_index,
double feature_value);
79 int getNoResponseVariables();
93 static const double sqrt2Pi_;
std::vector< Eigen::MatrixXd, Eigen::aligned_allocator< Eigen::MatrixXd > > MatrixVector