/usr/include/BALL/QSAR/kpcrModel.h is in libball1.4-dev 1.4.3~beta1-3.
This file is owned by root:root, with mode 0o644.
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// vi: set ts=2:
//
//
#ifndef BALL_QSAR_KPCRMODEL_H
#define BALL_QSAR_KPCRMODEL_H
#ifndef BALL_QSAR_KERNELMODEL_H
#include <BALL/QSAR/kernelModel.h>
#endif
#ifndef BALL_QSAR_PCRMODEL_H
#include <BALL/QSAR/pcrModel.h>
#endif
#ifndef BALL_QSAR_NONLINEARMODEL_H
#include <BALL/QSAR/nonlinearModel.h>
#endif
namespace BALL
{
namespace QSAR
{
/** class for kernel principal component regression */
class BALL_EXPORT KPCRModel : public KernelModel, public LatentVariableModel
{
public:
/** @name Constructors and Destructors
*/
//@{
KPCRModel(const QSARData& q, int k_type, double p1, double p2=-1);
KPCRModel(const QSARData& q, Eigen::VectorXd& w);
KPCRModel(const QSARData& q, String s1, String s2);
KPCRModel(const QSARData& q, const LinearModel& lm, int column);
~KPCRModel();
//@}
/** @name Accessors
*/
//@{
/** set the fraction of the variance that should be explained by the latente variables. */
void setFracVar(double frac_var);
void train();
void setParameters(vector<double>& v);
vector<double> getParameters() const;
//@}
private:
double frac_var_;
};
}
}
#endif //KPCRMODEL
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