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#include <componentPlotter.h>
#include <qwt_plot_curve.h>
#include <qwt_plot_marker.h>
#include <qwt_plot_zoomer.h>
#include <qwt_scale_widget.h>
#include <qwt_color_map.h>
#include <qwt_legend.h>
#include <qwt_legend_item.h>
#include <QColor>
#include <BALL/QSAR/regressionModel.h>
using namespace BALL::QSAR;
namespace BALL
{
namespace VIEW
{
ComponentPlotter::ComponentPlotter(ModelItem* model_item, bool plot_loadings)
: Plotter(model_item)
{
zoomer_ = NULL;
model_item_ = model_item;
plot_loadings_ = plot_loadings;
component_one_combobox_ = new QComboBox(this);
component_two_combobox_ = new QComboBox(this);
component_matrix_ = NULL;
qwt_plot_->enableAxis(QwtPlot::yLeft);
if(!plot_loadings_) qwt_plot_->enableAxis(QwtPlot::yRight,1);
else qwt_plot_->enableAxis(QwtPlot::yRight,0);
data_symbol.setSize(6,6);
print_data_symbol.setSize(5,5);
plot(1);
zoomer_ = new QwtPlotZoomer(qwt_plot_->canvas(),this);
buttonsLayout_->addWidget(component_one_combobox_);
buttonsLayout_->addWidget(component_two_combobox_);
connect(component_one_combobox_,SIGNAL(currentIndexChanged(int)),this,SLOT(selectedCompChanged()));
connect(component_two_combobox_,SIGNAL(currentIndexChanged(int)),this,SLOT(selectedCompChanged()));
if(plot_loadings_) setWindowTitle("Loadings Plotter");
else setWindowTitle("Latent Variable Plotter");
calculateComponents();
if(component_matrix_==NULL || component_matrix_->cols()==0)
{
throw BALL::Exception::GeneralException(__FILE__,__LINE__,"ComponentPlotter error","No input data available, thus plot cannot be created!");
}
// loading-plot is identical for all response variables ...
if(!plot_loadings_)
{
int no_y = model_item_->inputDataItem()->data()->getNoResponseVariables();
if(no_y>1)
{
for(unsigned int i=0; i<no_y;i++)
{
String s = "Activity "+String(i);
activity_combobox_->addItem(s.c_str(),i);
}
activity_combobox_->show();
}
}
}
void ComponentPlotter::selectedCompChanged()
{
delete zoomer_;
zoomer_ = NULL;
plot(1);
zoomer_ = new QwtPlotZoomer(qwt_plot_->canvas(),this); // if not creating a new zoomer, zooming will not work correctly
}
void ComponentPlotter::calculateComponents()
{
RegressionModel* model = (RegressionModel*)model_item_->model();
if(!model_item_->getRegistryEntry()->latent_variables)
{
std::cout << "Plotting of components can only be done for models that create principle components or partial least squares components!" << std::endl;
return;
}
if(model_item_->inputDataItem()->data()==NULL)
{
std::cout << "No input data! Thus creation of PCR/PLS components for plotting is not possible!" << std::endl;
return;
}
if(!plot_loadings_ && model_item_->inputDataItem()->data()->getNoResponseVariables()==0)
{
std::cout << "There should be response variable(s) for plotting of PLS/PCR components" << std::endl;
return;
}
unsigned int no_components=0;
LatentVariableModel* lv_model = dynamic_cast<LatentVariableModel*>(model_item_->model());
if(!plot_loadings_)
{
component_matrix_ = lv_model->getLatentVariables();
if(component_matrix_->cols()==0||component_matrix_->rows()==0)
{
model->setDataSource(model_item_->inputDataItem()->data());
model->readTrainingData();
model->train();
component_matrix_ = lv_model->getLatentVariables();
}
no_components=component_matrix_->cols();
if(no_components<2) return;
unsigned int size = model_item_->model()->data->getNoSubstances();
min_response_value_ = 1e10;
max_response_value_ = -1e10;
const QSARData* data = model_item_->inputDataItem()->data();
for(unsigned int j=0; j<size; j++)
{
vector<double>* resp = data->getActivity(j);
double response_value = (*resp)[selected_activity_];
delete resp;
if(response_value<min_response_value_) min_response_value_=response_value;
if(response_value>max_response_value_) max_response_value_=response_value;
}
}
else
{
component_matrix_ = lv_model->getLoadings();
if(component_matrix_->cols()==0||component_matrix_->rows()==0)
{
model->setDataSource(model_item_->inputDataItem()->data());
model->readTrainingData();
model->train();
component_matrix_ = lv_model->getLoadings();
}
}
no_components=component_matrix_->cols();
if(no_components<2) return;
if(component_one_combobox_->count()==0)
{
for(unsigned int i=1;i<=no_components;i++)
{
String tmp;
if(!plot_loadings_) tmp="component ";
else tmp="loading ";
tmp+=String(i);
component_one_combobox_->addItem(tmp.c_str(),i);
component_two_combobox_->addItem(tmp.c_str(),i);
}
component_one_combobox_->setCurrentIndex(0);
component_two_combobox_->setCurrentIndex(1);
}
}
// SLOT
void ComponentPlotter::activityChange()
{
component_matrix_=NULL; // make sure to recalculate min and max of the response variable
Plotter::activityChange();
}
void ComponentPlotter::plot(bool zoom)
{
qwt_plot_->clear();
if(component_matrix_==NULL||component_matrix_->cols()==0) calculateComponents();
if(component_matrix_==NULL||component_matrix_->cols()<2) return; // only 1 component
double min_y=1e10;
double max_y=-1e10;
double min_x=1e10;
double max_x=-1e10;
const vector<string>* feature_names;
if(!plot_loadings_) feature_names = model_item_->model()->getSubstanceNames();
else feature_names = model_item_->model()->getDescriptorNames();
const unsigned int size = feature_names->size();
unsigned int comp_one=component_one_combobox_->itemData(component_one_combobox_->currentIndex()).toInt();
unsigned int comp_two=component_two_combobox_->itemData(component_two_combobox_->currentIndex()).toInt();
QwtLinearColorMap color_map;
color_map.setColorInterval(QColor(255,0,0),QColor(0,255,0));
QwtDoubleInterval interval(min_response_value_,max_response_value_);
const QSARData* data = model_item_->inputDataItem()->data();
for(unsigned int j=1; j<=size; j++)
{
QwtPlotMarker* marker= new QwtPlotMarker;
QwtSymbol symbol = data_symbol;
if(!plot_loadings_)
{
vector<double>* resp = data->getActivity(j-1);
double response_value = (*resp)[selected_activity_];
delete resp;
QBrush b(QColor(color_map.rgb(interval,response_value)),Qt::SolidPattern);
symbol.setBrush(b);
}
double x_j = (*component_matrix_)(j,comp_one);
double y_j = (*component_matrix_)(j,comp_two);
if(y_j<min_y) min_y=y_j;
if(y_j>max_y) max_y=y_j;
if(x_j<min_x) min_x=x_j;
if(x_j>max_x) max_x=x_j;
marker->setSymbol(symbol);
marker->setValue(x_j,y_j);
marker->attach(qwt_plot_); // attached object will be automatically deleted by QwtPlot
if(show_data_labels)
{
QString s =(*feature_names)[j-1].c_str();
QwtText label(s);
label.setFont(data_label_font);
marker->setLabel(label);
marker->setLabelAlignment(data_label_alignment);
}
}
QString s1 = component_one_combobox_->itemText(component_one_combobox_->currentIndex());
QString s2 = component_two_combobox_->itemText(component_two_combobox_->currentIndex());
LatentVariableModel* lv_model = dynamic_cast<LatentVariableModel*>(model_item_->model());
const Eigen::MatrixXd* weights = lv_model->getWeights();
if(!plot_loadings_)
{
s1 += " c="; s1+=String((*weights)(comp_one,1)).c_str();
s2 += " c="; s2+=String((*weights)(comp_two,1)).c_str();
}
qwt_plot_->setAxisTitle(QwtPlot::yLeft,s2);
qwt_plot_->setAxisTitle(QwtPlot::xBottom,s1);
double x_border=(max_x-min_x)*0.05;
double y_border=(max_y-min_y)*0.05;
min_x-=x_border; min_y-=y_border;
max_x+=x_border; max_y+=y_border;
QwtPlotCurve* zero_line = new QwtPlotCurve;
QwtPlotCurve* zero_line2 = new QwtPlotCurve;
double x[2]; x[0]=min_x; x[1]=max_x;
double y[2]; y[0]=0; y[1]=0;
zero_line->setData(x,y,2);
x[0]=0; x[1]=0;
y[0]=min_y; y[1]=max_y;
zero_line2->setData(x,y,2);
QColor c(135,135,135); // grey
QPen pen(c);
zero_line->setPen(pen);
zero_line->attach(qwt_plot_);
zero_line2->setPen(pen);
zero_line2->attach(qwt_plot_);
if(zoom)
{
qwt_plot_->setAxisScale(QwtPlot::yLeft,min_y,max_y);
qwt_plot_->setAxisScale(QwtPlot::xBottom,min_x,max_x);
}
if(!plot_loadings_)
{
QwtScaleWidget* rightAxis = qwt_plot_->axisWidget(QwtPlot::yRight);
rightAxis->setTitle("response value");
rightAxis->setColorBarEnabled(true);
rightAxis->setColorMap(interval,color_map);
qwt_plot_->setAxisScale(QwtPlot::yRight,min_response_value_,max_response_value_);
}
}
}
}
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