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| MolDraw2DQt (int width, int height, QPainter &qp) |
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void | setFontSize (double new_size) |
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void | setColour (const DrawColour &col) |
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void | drawLine (const Point2D &cds1, const Point2D &cds2) |
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void | drawChar (char c, const Point2D &cds) |
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void | drawPolygon (const std::vector< Point2D > &cds) |
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void | clearDrawing () |
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void | getStringSize (const std::string &label, double &label_width, double &label_height) const |
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| MolDraw2D (int width, int height) |
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virtual | ~MolDraw2D () |
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virtual void | drawMolecule (const ROMol &mol, const std::vector< int > *highlight_atoms=NULL, const std::map< int, DrawColour > *highlight_map=NULL, const std::map< int, double > *highlight_radii=NULL, int confId=-1) |
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virtual void | drawMolecule (const ROMol &mol, const std::vector< int > *highlight_atoms, const std::vector< int > *highlight_bonds, const std::map< int, DrawColour > *highlight_atom_map=NULL, const std::map< int, DrawColour > *highlight_bond_map=NULL, const std::map< int, double > *highlight_radii=NULL, int confId=-1) |
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virtual Point2D | getDrawCoords (const Point2D &mol_cds) const |
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virtual Point2D | getDrawCoords (int at_num) const |
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virtual Point2D | getAtomCoords (const std::pair< int, int > &screen_cds) const |
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virtual Point2D | getAtomCoords (int at_num) const |
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virtual int | width () const |
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virtual int | height () const |
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virtual double | scale () const |
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virtual void | calculateScale () |
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virtual double | fontSize () const |
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virtual DrawColour | colour () const |
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virtual void | setDash (const DashPattern &patt) |
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virtual const DashPattern & | dash () const |
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virtual void | setLineWidth (int width) |
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virtual const int | lineWidth () const |
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bool | setStringDrawMode (const std::string &instring, int &draw_mode, int &i) const |
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virtual void | drawString (const std::string &str, const Point2D &cds) |
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virtual void | drawTriangle (const Point2D &cds1, const Point2D &cds2, const Point2D &cds3) |
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virtual void | drawEllipse (const Point2D &cds1, const Point2D &cds2) |
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virtual void | drawRect (const Point2D &cds1, const Point2D &cds2) |
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virtual void | drawAttachmentLine (const Point2D &cds1, const Point2D &cds2, const DrawColour &col, double len=1.0, unsigned int nSegments=8) |
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virtual void | tagAtoms (const ROMol &mol) |
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virtual bool | fillPolys () const |
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virtual void | setFillPolys (bool val) |
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MolDrawOptions & | drawOptions () |
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const MolDrawOptions & | drawOptions () const |
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const std::vector< Point2D > & | atomCoords () const |
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const std::vector< std::pair< std::string, OrientType > > & | atomSyms () const |
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Definition at line 25 of file MolDraw2DQt.h.