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//
// file RDKitSVPanel.H
// David Cosgrove
// AstraZeneca
// 20th June 2014
//
// This class does a 2D display of 1 molecule selected from a vector of them
// using a QSlider.
#ifndef RDKITSVPANEL_H
#define RDKITSVPANEL_H
#include <GraphMol/MolDraw2D/MolDraw2D.h>
#include <QWidget>
// ****************************************************************************
class QLabel;
class QSlider;
namespace RDKit {
class MolDisplay2DWidget;
}
// ****************************************************************************
namespace RDKitSV {
class RDKitSVPanel : public QWidget {
Q_OBJECT
public :
RDKitSVPanel( bool left_slider = true , QWidget *parent = 0 , Qt::WindowFlags f = 0 );
void set_molecules( const std::vector<RDKit::ROMOL_SPTR> &new_mols ,
const std::vector<std::vector<int> > &highlight_atoms = std::vector<std::vector<int> >() );
std::vector<RDKit::ROMOL_SPTR> get_molecules() const { return mols_; }
void set_label( const QString &new_label );
private :
RDKit::MolDisplay2DWidget *mol_draw_;
QSlider *mol_slider_;
QLabel *label_;
std::vector<RDKit::ROMOL_SPTR> mols_;
// highlight_atoms_ is either empty or the same size as mols_, and gives
// for each molecule a set of atoms to be highlighted.
std::vector<std::vector<int> > highlight_atoms_;
void build_widget( bool left_slider );
public slots :
void slot_slider_changed();
};
} // EO namespace RDKitSV
#endif // RDKITSVPANEL_H
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