BALL
1.5.0
include
BALL
QSAR
pcrModel.h
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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 PCRMODEL
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#define PCRMODEL
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#ifndef LMODEL
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#include <
BALL/QSAR/linearModel.h
>
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#endif
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#ifndef QSAR_EXCEPTION
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#include <
BALL/QSAR/exception.h
>
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#endif
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#include <
BALL/QSAR/rrModel.h
>
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#include <
BALL/QSAR/latentVariableModel.h
>
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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
PCRModel
:
public
LinearModel
,
public
LatentVariableModel
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{
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public
:
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PCRModel
(
const
QSARData
& q,
double
frac_var=0.99);
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~PCRModel
();
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void
train
();
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void
setFracVar
(
double
frac_var);
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void
setParameters
(vector<double>& v);
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vector<double>
getParameters
()
const
;
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static
void
calculateEigenvectors
(
const
Eigen::MatrixXd& data,
double
frac_var, Eigen::MatrixXd& output);
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protected
:
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double
frac_var_
;
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};
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}
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}
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#endif // PCRMODEL
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
latentVariableModel.h
BALL::QSAR::PCRModel::~PCRModel
~PCRModel()
BALL::QSAR::PCRModel::getParameters
vector< double > getParameters() const
linearModel.h
BALL::QSAR::PCRModel::PCRModel
PCRModel(const QSARData &q, double frac_var=0.99)
BALL::QSAR::PCRModel::train
void train()
BALL::QSAR::PCRModel
Definition:
pcrModel.h:27
BALL::QSAR::LatentVariableModel
Definition:
latentVariableModel.h:20
BALL::QSAR::PCRModel::setFracVar
void setFracVar(double frac_var)
BALL
Definition:
constants.h:13
BALL::QSAR::QSARData
Definition:
QSARData.h:56
BALL::QSAR::PCRModel::setParameters
void setParameters(vector< double > &v)
rrModel.h
BALL::QSAR::LinearModel
Definition:
linearModel.h:18
BALL::QSAR::PCRModel::frac_var_
double frac_var_
Definition:
pcrModel.h:68
BALL::QSAR::PCRModel::calculateEigenvectors
static void calculateEigenvectors(const Eigen::MatrixXd &data, double frac_var, Eigen::MatrixXd &output)
exception.h
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