BALL
1.5.0
include
BALL
QSAR
ldaModel.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 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
BALL_EXPORT
#define BALL_EXPORT
Definition:
COMMON/global.h:50
BALL::QSAR::LDAModel::saveToFile
void saveToFile(string filename)
BALL::QSAR::LDAModel::LDAModel
LDAModel(const QSARData &q)
BALL::QSAR::ClassificationModel
Definition:
classificationModel.h:28
BALL::QSAR::LDAModel::~LDAModel
~LDAModel()
BALL::QSAR::LDAModel::train
void train()
BALL
Definition:
constants.h:13
BALL::QSAR::LDAModel::setParameters
void setParameters(vector< double > &v)
BALL::QSAR::QSARData
Definition:
QSARData.h:56
BALL::QSAR::LDAModel::readFromFile
void readFromFile(string filename)
statistics.h
BALL::QSAR::LDAModel
Definition:
ldaModel.h:22
classificationModel.h
BALL::QSAR::LDAModel::predict
Eigen::VectorXd predict(const vector< double > &substance, bool transform=1)
BALL::QSAR::LDAModel::getParameters
vector< double > getParameters() const
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