Loading...
Searching...
No Matches
pcrModel.h
Go to the documentation of this file.
// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
//
#ifndef PCRMODEL
#define PCRMODEL
#ifndef LMODEL
#include <BALL/QSAR/linearModel.h>
#endif
#ifndef QSAR_EXCEPTION
#include <BALL/QSAR/exception.h>
#endif
#include <BALL/QSAR/rrModel.h>
#include <BALL/QSAR/latentVariableModel.h>
namespace BALL
{
namespace QSAR
{
class BALL_EXPORT PCRModel : public LinearModel, public LatentVariableModel
{
public:
PCRModel(const QSARData& q, double frac_var=0.99);
~PCRModel();
void train();
void setFracVar(double frac_var);
void setParameters(vector<double>& v);
vector<double> getParameters() const;
static void calculateEigenvectors(const Eigen::MatrixXd& data, double frac_var, Eigen::MatrixXd& output);
protected:
double frac_var_;
};
}
}
#endif // PCRMODEL
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
exception.h
BALL::QSAR::LatentVariableModel::LatentVariableModel
LatentVariableModel()
BALL::QSAR::LinearModel::LinearModel
LinearModel(const QSARData &q)
BALL::QSAR::Model::data
const QSARData * data
Definition Model.h:147
BALL::QSAR::PCRModel::PCRModel
PCRModel(const QSARData &q, double frac_var=0.99)
BALL::QSAR::PCRModel::setParameters
void setParameters(vector< double > &v)
BALL::QSAR::PCRModel::calculateEigenvectors
static void calculateEigenvectors(const Eigen::MatrixXd &data, double frac_var, Eigen::MatrixXd &output)
BALL::QSAR::PCRModel::getParameters
vector< double > getParameters() const
BALL::QSAR::PCRModel::~PCRModel
~PCRModel()
BALL::QSAR::PCRModel::train
void train()
BALL::QSAR::PCRModel::setFracVar
void setFracVar(double frac_var)
BALL::QSAR::PCRModel::frac_var_
double frac_var_
Definition pcrModel.h:68
BALL::QSAR::QSARData
Definition QSARData.h:56
latentVariableModel.h
linearModel.h
BALL::QSAR
Definition allModel.h:17
BALL
Definition constants.h:13
rrModel.h