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plsModel.h
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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
//
#ifndef PLSMODEL
#define PLSMODEL
#ifndef LMODEL
#include <BALL/QSAR/linearModel.h>
#endif
#ifndef STATISTICS
#include <BALL/QSAR/statistics.h>
#endif
#ifndef QSAR_EXCEPTION
#include <BALL/QSAR/exception.h>
#endif
#include <BALL/QSAR/latentVariableModel.h>
namespace BALL
{
namespace QSAR
{
class BALL_EXPORT PLSModel : public LinearModel, public LatentVariableModel
{
public:
PLSModel(const QSARData& q);
~PLSModel();
EIGEN_MAKE_ALIGNED_OPERATOR_NEW
virtual void train();
virtual bool optimizeParameters(int k, int no_steps);
void setNoComponents(int no);
int getNoComponents();
const Eigen::MatrixXd* getU();
void setParameters(vector<double>& v);
vector<double> getParameters() const;
protected:
Eigen::MatrixXd U_;
int no_components_;
};
}
}
#endif // PLSMODEL
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::PLSModel::getU
const Eigen::MatrixXd * getU()
BALL::QSAR::PLSModel::optimizeParameters
virtual bool optimizeParameters(int k, int no_steps)
BALL::QSAR::PLSModel::setParameters
void setParameters(vector< double > &v)
BALL::QSAR::PLSModel::no_components_
int no_components_
Definition plsModel.h:76
BALL::QSAR::PLSModel::U_
Eigen::MatrixXd U_
Definition plsModel.h:74
BALL::QSAR::PLSModel::getNoComponents
int getNoComponents()
BALL::QSAR::PLSModel::setNoComponents
void setNoComponents(int no)
BALL::QSAR::PLSModel::train
virtual void train()
BALL::QSAR::PLSModel::PLSModel
PLSModel(const QSARData &q)
BALL::QSAR::PLSModel::getParameters
vector< double > getParameters() const
BALL::QSAR::PLSModel::~PLSModel
~PLSModel()
BALL::QSAR::QSARData
Definition QSARData.h:56
latentVariableModel.h
linearModel.h
BALL::QSAR
Definition allModel.h:17
BALL
Definition constants.h:13
statistics.h