BALL
1.5.0
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include
BALL
QSAR
logitModel.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 LOGITMODEL
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#define LOGITMODEL
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#ifndef CLASSIFICATION
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#include <
BALL/QSAR/classificationModel.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
LogitModel
:
public
ClassificationModel
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{
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public
:
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LogitModel
(
const
QSARData
& q);
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~LogitModel
();
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EIGEN_MAKE_ALIGNED_OPERATOR_NEW
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void
train
();
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Eigen::VectorXd
predict
(
const
vector<double>& substance,
bool
transform);
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void
saveToFile
(
string
filename);
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void
readFromFile
(
string
filename);
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protected
:
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Eigen::MatrixXd
training_result_
;
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};
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}
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}
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#endif
// LOGITMODEL
classificationModel.h
BALL
Definition
constants.h:13
BALL::QSAR::ClassificationModel
Definition
classificationModel.h:28
BALL::QSAR::LogitModel
Definition
logitModel.h:20
BALL::QSAR::LogitModel::LogitModel
LogitModel(const QSARData &q)
BALL::QSAR::LogitModel::predict
Eigen::VectorXd predict(const vector< double > &substance, bool transform)
BALL::QSAR::LogitModel::~LogitModel
~LogitModel()
BALL::QSAR::LogitModel::readFromFile
void readFromFile(string filename)
BALL::QSAR::LogitModel::training_result_
Eigen::MatrixXd training_result_
Definition
logitModel.h:50
BALL::QSAR::LogitModel::saveToFile
void saveToFile(string filename)
BALL::QSAR::LogitModel::train
void train()
BALL::QSAR::QSARData
Definition
QSARData.h:56
BALL_EXPORT
#define BALL_EXPORT
Definition
COMMON/global.h:50
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