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/* inputPlotter.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 <inputPlotter.h>
#include <qwt_plot_marker.h>
#include <qwt_plot_zoomer.h>
using namespace BALL::QSAR;
namespace BALL
{
namespace VIEW
{
InputPlotter::InputPlotter(InputDataItem* item)
: Plotter(item)
{
input_item_ = item;
data_ = item->data();
sort_ = 0;
sort_checkbox_ = new QCheckBox("sort",this);
sort_checkbox_->setChecked(sort_);
buttonsLayout_->addWidget(sort_checkbox_);
connect(sort_checkbox_, SIGNAL(clicked()), this, SLOT(sortChangeState()));
if(data_->getNoResponseVariables()>1)
{
for(unsigned int i=0; i<data_->getNoResponseVariables();i++)
{
String s = "Activity "+String(i);
activity_combobox_->addItem(s.c_str(),i);
}
activity_combobox_->show();
}
plot(1);
zoomer_ = new QwtPlotZoomer(qwt_plot_->canvas(),this);
setWindowTitle("Input Data Plotter");
}
InputPlotter::~InputPlotter()
{
delete sort_checkbox_;
}
void InputPlotter::plot(bool zoom)
{
qwt_plot_->clear();
if(sort_)
{
plotSortedActivity(zoom);
}
else
{
plotActivity(zoom);
}
}
// SLOT
void InputPlotter::sortChangeState()
{
int a = sort_checkbox_->checkState();
delete zoomer_;
if(a==0) // unchecked
{
sort_ = 0;
plot(1);
}
else if(a==2) // checked
{
sort_ = 1;
plot(1);
}
zoomer_ = new QwtPlotZoomer(qwt_plot_->canvas(),this); // if not creating a new zoomer, zooming will not work correctly
}
void InputPlotter::plotActivity(bool zoom)
{
const vector<string>* names = data_->getSubstanceNames();
unsigned int no = data_->getNoResponseVariables();
if(no==0)
{
std::cout<<"Activities must be read before they can be plotted!!"<<std::endl;
return;
}
if(names->empty()) show_data_labels=0;
double min_y=1e10;
double max_y=-1e10;
for(unsigned int i=0; i<data_->getNoSubstances();i++)
{
QwtPlotMarker* marker= new QwtPlotMarker;
marker->setSymbol(data_symbol);
vector<double>* y0 = data_->getActivity(i);
double y = (*y0)[selected_activity_];
delete y0;
if(y<min_y) min_y=y;
if(y>max_y) max_y=y;
marker->setValue(i,y);
marker->attach(qwt_plot_); // attached object will be automatically deleted by QwtPlot
if(show_data_labels)
{
QString s =(*names)[i].c_str();
QwtText label(s);
label.setFont(data_label_font);
marker->setLabel(label);
marker->setLabelAlignment(data_label_alignment);
}
}
QString s1 = "compounds";
QString s2 = "activity";
qwt_plot_->setAxisTitle(0,s2);
qwt_plot_->setAxisTitle(2,s1);
double x_border=data_->getNoSubstances()*0.05;
double y_border=(max_y-min_y)*0.05;
double min_x=0-x_border; min_y-=y_border;
double max_x=data_->getNoSubstances()+x_border; max_y+=y_border;
if(zoom)
{
qwt_plot_->setAxisScale(0,min_y,max_y);
qwt_plot_->setAxisScale(2,min_x,max_x);
}
}
void InputPlotter::plotSortedActivity(bool zoom)
{
const vector<string>* names = data_->getSubstanceNames();
unsigned int no = data_->getNoResponseVariables();
if(no==0)
{
std::cout<<"Activities must be read before they can be plotted!!"<<std::endl;
return;
}
if(names->empty()) show_data_labels=0;
std::multiset<std::pair<double,unsigned int> > act;
for(unsigned int i=0; i<data_->getNoSubstances();i++)
{
vector<double>* y0 = data_->getActivity(i);
act.insert(std::make_pair((*y0)[selected_activity_],i));
delete y0;
}
double min_y=1e10;
double max_y=-1e10;
std::multiset<std::pair<double, unsigned int> >::iterator a_it = act.begin();
for(unsigned int i=0; i<data_->getNoSubstances();i++, ++a_it)
{
QwtPlotMarker* marker= new QwtPlotMarker;
marker->setSymbol(data_symbol);
const std::pair<double,unsigned int>& pair = *a_it;
double y=pair.first;
if(y<min_y) min_y=y;
if(y>max_y) max_y=y;
marker->setValue(i,y);
marker->attach(qwt_plot_); // attached object will be automatically deleted by QwtPlot
if(show_data_labels)
{
QString s =(*names)[pair.second].c_str();
QwtText label(s);
label.setFont(data_label_font);
marker->setLabel(label);
marker->setLabelAlignment(data_label_alignment);
}
}
QString s1 = "compounds sorted according to activity";
QString s2 = "activity";
qwt_plot_->setAxisTitle(0,s2);
qwt_plot_->setAxisTitle(2,s1);
double x_border=data_->getNoSubstances()*0.05;
double y_border=(max_y-min_y)*0.05;
double min_x=0-x_border; min_y-=y_border;
double max_x=data_->getNoSubstances()+x_border; max_y+=y_border;
if(zoom)
{
qwt_plot_->setAxisScale(0,min_y,max_y);
qwt_plot_->setAxisScale(2,min_x,max_x);
}
}
}
}
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