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include
BALL
QSAR
ldaModel.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 LDAMODEL
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#define LDAMODEL
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#ifndef CLASSIFICATION
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#include <
BALL/QSAR/classificationModel.h
>
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#endif
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#ifndef STATISTICS
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#include <
BALL/QSAR/statistics.h
>
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#endif
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namespace
BALL{
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namespace
QSAR {
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class
BALL_EXPORT
LDAModel
:
public
ClassificationModel
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{
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public
:
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LDAModel
(
const
QSARData
& q);
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~
LDAModel
();
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void
train();
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Eigen::VectorXd predict(
const
vector<double>& substance,
bool
transform=1);
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void
setParameters(vector<double>& v);
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vector<double> getParameters()
const
;
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void
saveToFile(
string
filename);
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void
readFromFile(
string
filename);
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private
:
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Eigen::MatrixXd sigma_;
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double
lambda_;
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vector<Eigen::MatrixXd > mean_vectors_;
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};
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}
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}
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#endif //LDAMODEL
statistics.h
classificationModel.h
BALL::QSAR::ClassificationModel
Definition:
classificationModel.h:26
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
BALL::QSAR::QSARData
Definition:
QSARData.h:55
BALL::QSAR::LDAModel
Definition:
ldaModel.h:21
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