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/* featureSelectionDialog.C
*
* Copyright (C) 2009 Marcel Schumann
*
* This file is part of QuEasy -- A Toolbox for Automated QSAR Model
* Construction and Validation.
* QuEasy is free software; you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation; either version 3 of the License, or (at
* your option) any later version.
*
* QuEasy is distributed in the hope that it will be useful, but
* WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
* General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with this program; if not, see <http://www.gnu.org/licenses/>.
*/
#include <featureSelectionDialog.h>
#include <iostream>
#include <BALL/QSAR/exception.h>
#include <exception.h>
#include <mainWindow.h>
#include <QtGui/QMessageBox>
#include <QtGui/QPushButton>
#include <iterator>
using namespace BALL::QSAR;
namespace BALL
{
namespace VIEW
{
FeatureSelectionDialog::FeatureSelectionDialog(FeatureSelectionItem* fsitem, ModelItem* model):
fs_item_(fsitem)
{
Registry* reg = model->getRegistryEntry()->getRegistry();
QVBoxLayout* main_layout = new QVBoxLayout(this);
QHBoxLayout* layout1 = new QHBoxLayout;
QHBoxLayout* layout2 = NULL;
QDialogButtonBox* buttons = new QDialogButtonBox(QDialogButtonBox::Cancel);
QPushButton* applyButton = new QPushButton("OK");
buttons->addButton(applyButton, QDialogButtonBox::ApplyRole);
checkbox_post_optimization_model_par_ =0;
checkbox_post_optimization_kernel_par_=0;
cutoff_ = 0;
edit_ = new QLineEdit(this);
edit2_ = NULL;
if((fsitem->getType()>0&&fsitem->getType()<4) || fsitem->getType()==6)
{
edit_->setText(String(reg->default_k).c_str());
QLabel* klabel = new QLabel("k for k-fold cross validation",this);
QHBoxLayout* cutoff_layout = new QHBoxLayout;
QLabel* cutoff_label = new QLabel("quality increase cutoff");
cutoff_ = new QLineEdit(this);
cutoff_->setText("0.001");
cutoff_layout->addWidget(cutoff_label);
cutoff_layout->addWidget(cutoff_);
layout1->addWidget(klabel);
layout1->addWidget(edit_);
//QHBoxLayout* layout2 = new QHBoxLayout();
//layout2->addWidget(checkbox_post_optimization_model_par_);
//layout2->addWidget(checkbox_post_optimization_kernel_par_);
main_layout->addLayout(layout1);
main_layout->addLayout(cutoff_layout);
statistic_box_ = NULL;
// let user select validation statistic
QHBoxLayout* layout3 = new QHBoxLayout;
QLabel* label3 = new QLabel("quality statistic");
statistic_box_ = new QComboBox;
const std::map<unsigned int,String>* statistics = model->getRegistryEntry()->getStatistics();
for(std::map<unsigned int,String>::const_iterator it=statistics->begin(); it!=statistics->end(); ++it)
{
statistic_box_->addItem(it->second.c_str(),it->first);
}
if(statistics->size()>2) statistic_box_->setCurrentIndex(2); // use overall ACC as default
layout3->addWidget(label3);layout3->addWidget(statistic_box_);
main_layout->addLayout(layout3);
}
else // no validation statistics for removal of colineal features
{
double cor = reg->default_correlation_cutoff;
edit_->setText(String(cor).c_str());
QLabel* label = NULL;
if(fsitem->getType()==0) label = new QLabel("max correlation between features");
else if(fsitem->getType()==4)
{
label = new QLabel("min correlation with response");
edit_->setText(String(0.15).c_str());
}
else if(fsitem->getType()==5)
{
QLabel* description = new QLabel("Remove each feature whose absolut coefficient value\nis smaller than d times its standard deviation.");
label = new QLabel("d = ",this);
edit_->setText("2");
main_layout->addWidget(description);
edit2_ = new QLineEdit(this);
QString t;
t.setNum(model->view()->data_scene->main_window->registry()->default_no_boostrap_samples);
edit2_->setText(t);
QLabel* label2 = new QLabel("number of bootstrap samples",this);
layout2 = new QHBoxLayout;
layout2->addWidget(label2);
layout2->addWidget(edit2_);
}
layout1->addWidget(label);
layout1->addWidget(edit_);
main_layout->addLayout(layout1);
if(layout2!=NULL) main_layout->addLayout(layout2);
}
checkbox_post_optimization_model_par_ = new QCheckBox("optimize model parameters afterwards", this);
if(!model->optimize_model_parameters || model->k_fold<2)
{
checkbox_post_optimization_model_par_->setEnabled(0);
}
checkbox_post_optimization_kernel_par_ = new QCheckBox("optimize kernel parameters afterwards", this);
if(!model->optimize_kernel_parameters || model->k_fold<2)
{
checkbox_post_optimization_kernel_par_->setEnabled(0);
}
main_layout->addWidget(checkbox_post_optimization_model_par_);
main_layout->addWidget(checkbox_post_optimization_kernel_par_);
main_layout->addWidget(buttons);
setLayout(main_layout);
setWindowTitle(fs_item_->name());
connect(applyButton, SIGNAL(clicked()), this, SLOT(accept()));
connect(buttons, SIGNAL(rejected()), this, SLOT(reject()));
}
FeatureSelectionDialog::FeatureSelectionDialog():
edit_(NULL)
{
post_optimization_model_par_ = 0;
post_optimization_kernel_par_ = 0;
}
FeatureSelectionDialog::~FeatureSelectionDialog()
{
delete edit_;
delete checkbox_post_optimization_model_par_;
delete checkbox_post_optimization_kernel_par_;
}
void FeatureSelectionDialog::applyInput()
{
bool ok = 0;
post_optimization_model_par_ = checkbox_post_optimization_model_par_->isChecked();
post_optimization_kernel_par_ = checkbox_post_optimization_kernel_par_->isChecked();
fs_item_->post_optimization_model_par_ = post_optimization_model_par_;
fs_item_->post_optimization_kernel_par_ = post_optimization_kernel_par_;
if((fs_item_->getType()>0&&fs_item_->getType()<4)||fs_item_->getType()==6) // no validation statistics for removal of colineal features
{
k_ = edit_->text().toInt(&ok);
fs_item_->setK(k_);
statistic_ = -1;
if(statistic_box_!=NULL)
{
statistic_ = statistic_box_->currentIndex();
}
if(cutoff_!=NULL)
{
fs_item_->setQualityIncreaseCutoff(cutoff_->text().toDouble(&ok));
}
}
else
{
fs_item_->cor_threshold_=edit_->text().toDouble(&ok);
statistic_ = -1;
if(fs_item_->getType()==5) fs_item_->setK(edit2_->text().toInt(&ok));
else k_ = 0;
}
}
int FeatureSelectionDialog::k()
{
return k_;
}
}
}
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