BALL::QSAR::KNNModel Class Reference

#include <BALL/QSAR/knnModel.h>

Inheritance diagram for BALL::QSAR::KNNModel:
Inheritance graph
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List of all members.

Public Member Functions

void calculateWeights (Matrix< double > &dist, Vector< double > &w)
void setParameters (vector< double > &v)
vector< doublegetParameters () const
bool optimizeParameters (int k, int no_steps)
Constructors and Destructors

 KNNModel (const QSARData &q, int k=3)

Private Attributes

int k_

Detailed Description

class for automated lazy learning (ALL-QSAR)

Definition at line 39 of file knnModel.h.


Constructor & Destructor Documentation

BALL::QSAR::KNNModel::KNNModel ( const QSARData q,
int  k = 3 
)

Member Function Documentation

void BALL::QSAR::KNNModel::calculateWeights ( Matrix< double > &  dist,
Vector< double > &  w 
)
vector<double> BALL::QSAR::KNNModel::getParameters (  )  const [virtual]

Reimplemented from BALL::QSAR::ALLModel.

bool BALL::QSAR::KNNModel::optimizeParameters ( int  d,
int  no_steps 
) [virtual]

Tries to find the optimal kernel width for the current data. Therefore some training data must have been read by the connected QSARData object before running this method.

Reimplemented from BALL::QSAR::ALLModel.

void BALL::QSAR::KNNModel::setParameters ( vector< double > &   )  [virtual]

sets the model parameters according to the given values.

Reimplemented from BALL::QSAR::ALLModel.


Member Data Documentation

int BALL::QSAR::KNNModel::k_ [private]

Definition at line 57 of file knnModel.h.

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