/usr/include/BALL/QSAR/rrModel.h is in libball1.4-dev 1.4.3~beta1-3.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 | // -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
//
#ifndef RIDGEMODEL
#define RIDGEMODEL
#ifndef MLRMODEL
#include <BALL/QSAR/mlrModel.h>
#endif
#ifndef QSAR_EXCEPTION
#include <BALL/QSAR/exception.h>
#endif
namespace BALL
{
namespace QSAR
{
class BALL_EXPORT RRModel : public MLRModel
{
public:
/** @name Constructors and Destructors
*/
//@{
/** constructur
@param q QSARData object, from which the data for this model should be taken */
RRModel(const QSARData& q, double lambda=0.003);
~RRModel();
//@}
/** @name Accessors
*/
//@{
/** Starts multiple linear regression with the current data and saves the resulting linear combination of descriptors to training_result. \n */
void train();
void setParameters(vector<double>& v);
vector<double> getParameters() const;
//@}
private:
/** @name Attributes
*/
//@{
double lambda_;
//@}
};
}
}
#endif // RIDGEMODEL
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