BALL
1.5.0
include
BALL
QSAR
kpcrModel.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 BALL_QSAR_KPCRMODEL_H
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#define BALL_QSAR_KPCRMODEL_H
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#ifndef BALL_QSAR_KERNELMODEL_H
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#include <
BALL/QSAR/kernelModel.h
>
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#endif
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#ifndef BALL_QSAR_PCRMODEL_H
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#include <
BALL/QSAR/pcrModel.h
>
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#endif
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#ifndef BALL_QSAR_NONLINEARMODEL_H
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#include <
BALL/QSAR/nonlinearModel.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
KPCRModel
:
public
KernelModel
,
public
LatentVariableModel
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{
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public
:
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KPCRModel
(
const
QSARData
& q,
int
k_type,
double
p1,
double
p2=-1);
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KPCRModel
(
const
QSARData
& q, Eigen::VectorXd& w);
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KPCRModel
(
const
QSARData
& q,
String
s1,
String
s2);
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KPCRModel
(
const
QSARData
& q,
const
LinearModel
& lm,
int
column);
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~KPCRModel
();
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void
setFracVar
(
double
frac_var);
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void
train
();
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void
setParameters
(vector<double>& v);
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vector<double>
getParameters
()
const
;
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private
:
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double
frac_var_;
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};
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}
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}
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#endif //KPCRMODEL
BALL::QSAR::KPCRModel::~KPCRModel
~KPCRModel()
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
kernelModel.h
nonlinearModel.h
BALL::QSAR::KPCRModel::getParameters
vector< double > getParameters() const
BALL::QSAR::KPCRModel
Definition:
kpcrModel.h:27
BALL::QSAR::LatentVariableModel
Definition:
latentVariableModel.h:20
BALL::String
Definition:
string.h:57
BALL
Definition:
constants.h:13
BALL::QSAR::QSARData
Definition:
QSARData.h:56
pcrModel.h
BALL::QSAR::KPCRModel::train
void train()
BALL::QSAR::KPCRModel::KPCRModel
KPCRModel(const QSARData &q, Eigen::VectorXd &w)
BALL::QSAR::KPCRModel::setParameters
void setParameters(vector< double > &v)
BALL::QSAR::KPCRModel::setFracVar
void setFracVar(double frac_var)
BALL::QSAR::LinearModel
Definition:
linearModel.h:18
BALL::QSAR::KPCRModel::KPCRModel
KPCRModel(const QSARData &q, int k_type, double p1, double p2=-1)
BALL::QSAR::KPCRModel::KPCRModel
KPCRModel(const QSARData &q, String s1, String s2)
BALL::QSAR::KPCRModel::KPCRModel
KPCRModel(const QSARData &q, const LinearModel &lm, int column)
BALL::QSAR::KernelModel
Definition:
kernelModel.h:28
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