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/* SDFInputDialog.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 <SDFInputDialog.h>
#include <BALL/QSAR/exception.h>
#include <QtGui/QMessageBox>
#include <QtGui/QPushButton>
#include <QtGui/QScrollArea>
#include <QtGui/QTableWidget>
#include <QtGui/QHeaderView>
using namespace BALL::QSAR;
namespace BALL
{
namespace VIEW
{
SDFInputDialog::SDFInputDialog(SDFInputDataItem* item):
input_ok_(false),
input_item_(item)
{
property_names_ = input_item_->data()->readPropertyNames(String(input_item_->filename().toStdString()));
QGridLayout* layout = new QGridLayout(this);
activity_edit_ = new QLineEdit();
sd_descriptors_checkbox_ = new QCheckBox("use other properties as descriptors", this);
class_names_checkbox_ = new QCheckBox("non-numeric class names",this);
center_descriptor_values_ = new QCheckBox("center descriptor values", this);
center_descriptor_values_->setChecked(true);
center_response_values_ = new QCheckBox("center response values",this);
center_response_values_->setChecked(true);
QDialogButtonBox* SDFInputDialogButtons= new QDialogButtonBox(QDialogButtonBox::Ok |QDialogButtonBox::Cancel,Qt::Horizontal, this);
QString tmp;
QString message_string = QString("This input file contains "+ tmp.setNum(property_names_->size())+ " properties: <br>");
QStringList labels;
labels << "ID" <<"Property";
QTableWidget* table = new QTableWidget(property_names_->size(), 2, this);
table->verticalHeader()->hide();
table->setHorizontalHeaderLabels (labels);
table->setAlternatingRowColors(true);
table->setDragDropMode(QAbstractItemView::NoDragDrop);
table->setEditTriggers(QAbstractItemView::NoEditTriggers);
table->horizontalHeader()->setResizeMode(QHeaderView::ResizeToContents);
table->horizontalHeader()->setResizeMode(1,QHeaderView::Stretch);
for (unsigned int i=0; i< property_names_->size(); i++)
{
QTableWidgetItem* id = new QTableWidgetItem("[" + tmp.setNum(i) + "]");
table->setItem(i, 0, id);
QTableWidgetItem* name = new QTableWidgetItem(QString(property_names_->at(i).c_str()));
table->setItem(i, 1, name);
}
QScrollArea* scrollArea = new QScrollArea(this);
scrollArea->setHorizontalScrollBarPolicy(Qt::ScrollBarAsNeeded);
scrollArea->setVerticalScrollBarPolicy(Qt::ScrollBarAsNeeded);
scrollArea->setFrameShape(QFrame::NoFrame);
scrollArea->setWidget(table);
scrollArea->setWidgetResizable(true);
layout->addWidget(scrollArea, 1, 3, 5, 1,Qt::AlignHCenter);
message_string += "<br> Numbers of properties that are to be used as activities: <br> (comma separated)";
QLabel* alabel = new QLabel(message_string,this);
layout->addWidget(alabel,1,1,1,2);
layout->addWidget(activity_edit_,2,1,1,2);
layout->addWidget(sd_descriptors_checkbox_,3,1,Qt::AlignLeft);
layout->addWidget(class_names_checkbox_,4,1,Qt::AlignLeft);
layout->addWidget(center_descriptor_values_,5,1,Qt::AlignLeft);
layout->addWidget(center_response_values_,6,1,Qt::AlignLeft);;
layout->addWidget(SDFInputDialogButtons,7,1,1,2, Qt::AlignHCenter);
this->setLayout(layout);
this->setWindowTitle("Preferences for " + input_item_->name());
connect(SDFInputDialogButtons, SIGNAL(accepted()), this, SLOT(accept()));
connect(SDFInputDialogButtons, SIGNAL(rejected()), this, SLOT(reject()));
connect(class_names_checkbox_,SIGNAL(clicked()),this,SLOT(classNamesChange()));
}
// SLOT
void SDFInputDialog::classNamesChange()
{
if(class_names_checkbox_->isChecked())
{
center_response_values_->setChecked(0);
center_response_values_->setEnabled(0);
}
else
{
center_response_values_->setEnabled(1);
}
}
SDFInputDialog::SDFInputDialog():
activity_edit_(NULL),
center_descriptor_values_(NULL),
center_response_values_(NULL)
{
}
SDFInputDialog::~SDFInputDialog()
{
delete activity_edit_;
delete center_descriptor_values_;
delete center_response_values_;
}
void SDFInputDialog::getNumbers()
{
std::vector<QString> invalid_input;
QString input = activity_edit_->text().trimmed();
QList<QString> substrings = input.split(",");
numbers_.clear();
bool ok;
int num = 0;
for (int i = 0; i < substrings.size(); i++)
{
num = substrings[i].toInt(&ok);
if (ok && num >= 0 && num < (int)property_names_->size())
{
numbers_.insert(num);
}
else
{
if (substrings[i] != "")
{
invalid_input.push_back(substrings[i]);
}
}
}
if (invalid_input.empty())
{
input_ok_ = true;
}
else
{
numbers_.clear();
input_ok_ = false;
throw BALL::QSAR::Exception::InvalidActivityID(__FILE__,__LINE__);
}
input_item_->useSDProperties(sd_descriptors_checkbox_->isChecked());
input_item_->setCenterDataFlag(center_descriptor_values_->isChecked());
input_item_->setCenterResponseFlag(center_response_values_->isChecked());
input_item_->setActivityValues(numbers_);
input_item_->setNonNumericClassNames(class_names_checkbox_->isChecked());
}
std::multiset<int> SDFInputDialog::numbers()
{
return numbers_;
}
bool SDFInputDialog::centerDescriptorValues()
{
return center_descriptor_values_->isChecked();
}
bool SDFInputDialog::centerResponseValues()
{
return center_response_values_->isChecked();
}
bool SDFInputDialog::inputOk()
{
return input_ok_;
}
}
}
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