BALL
1.5.0
include
BALL
QSAR
knnModel.h
Go to the documentation of this file.
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// -*- Mode: C++; tab-width: 2; -*-
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// vi: set ts=2:
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//
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//
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#ifndef BALL_QSAR_KNNMODEL_H
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#define BALL_QSAR_KNNMODEL_H
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#ifndef BALL_QSAR_ALLMODEL_H
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#include <
BALL/QSAR/allModel.h
>
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#endif
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namespace
BALL
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{
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namespace
QSAR
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{
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class
BALL_EXPORT
KNNModel
:
public
ALLModel
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{
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public
:
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KNNModel
(
const
QSARData
& q,
int
k
=3);
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void
calculateWeights
(Eigen::MatrixXd& dist, Eigen::VectorXd& w);
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void
setParameters
(vector<double>& v);
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vector<double>
getParameters
()
const
;
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bool
optimizeParameters
(
int
k
,
int
no_steps);
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private
:
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int
k_ ;
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};
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}
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}
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#endif // KNNMODEL
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
BALL::QSAR::KNNModel::getParameters
vector< double > getParameters() const
BALL::QSAR::KNNModel::optimizeParameters
bool optimizeParameters(int k, int no_steps)
BALL::QSAR::KNNModel
Definition:
knnModel.h:20
allModel.h
BALL
Definition:
constants.h:13
BALL::QSAR::QSARData
Definition:
QSARData.h:56
BALL::QSAR::ALLModel
Definition:
allModel.h:21
BALL::QSAR::KNNModel::setParameters
void setParameters(vector< double > &v)
BALL::Constants::k
BALL_EXTERN_VARIABLE const double k
Definition:
constants.h:93
BALL::QSAR::KNNModel::KNNModel
KNNModel(const QSARData &q, int k=3)
BALL::QSAR::KNNModel::calculateWeights
void calculateWeights(Eigen::MatrixXd &dist, Eigen::VectorXd &w)
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