RDKit
Open-source cheminformatics and machine learning.
Public Member Functions | List of all members
RDKit::MolDraw2Dwx Class Reference

#include <MolDraw2Dwx.h>

Inheritance diagram for RDKit::MolDraw2Dwx:
RDKit::MolDraw2D

Public Member Functions

 MolDraw2Dwx (int width, int height, wxDC &dc)
 
void setFontSize (double new_size)
 
void setColour (const DrawColour &col)
 
void drawLine (const Point2D &cds1, const Point2D &cds2)
 
void drawChar (char c, const Point2D &cds)
 
void drawPolygon (const std::vector< Point2D > &cds)
 
void clearDrawing ()
 
void getStringSize (const std::string &label, double &label_width, double &label_height) const
 
- Public Member Functions inherited from RDKit::MolDraw2D
 MolDraw2D (int width, int height)
 
virtual ~MolDraw2D ()
 
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)
 
virtual void drawMolecule (const ROMol &mol, const std::string &legend, 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)
 
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)
 
virtual void drawMolecule (const ROMol &mol, const std::string &legend, 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)
 
virtual Point2D getDrawCoords (const Point2D &mol_cds) const
 
virtual Point2D getDrawCoords (int at_num) const
 
virtual Point2D getAtomCoords (const std::pair< int, int > &screen_cds) const
 
virtual Point2D getAtomCoords (const std::pair< double, double > &screen_cds) const
 
virtual Point2D getAtomCoords (int at_num) const
 
virtual int width () const
 
virtual int height () const
 
virtual double scale () const
 
virtual void calculateScale ()
 
virtual double fontSize () const
 
virtual DrawColour colour () const
 
virtual void setDash (const DashPattern &patt)
 
virtual const DashPattern & dash () const
 
virtual void setLineWidth (int width)
 
virtual int lineWidth () const
 
bool setStringDrawMode (const std::string &instring, TextDrawType &draw_mode, int &i) const
 
virtual void drawString (const std::string &str, const Point2D &cds)
 
virtual void drawTriangle (const Point2D &cds1, const Point2D &cds2, const Point2D &cds3)
 
virtual void drawEllipse (const Point2D &cds1, const Point2D &cds2)
 
virtual void drawRect (const Point2D &cds1, const Point2D &cds2)
 
virtual void drawAttachmentLine (const Point2D &cds1, const Point2D &cds2, const DrawColour &col, double len=1.0, unsigned int nSegments=8)
 
virtual void tagAtoms (const ROMol &mol)
 
virtual bool fillPolys () const
 
virtual void setFillPolys (bool val)
 
MolDrawOptions & drawOptions ()
 
const MolDrawOptions & drawOptions () const
 
const std::vector< Point2D > & atomCoords () const
 
const std::vector< std::pair< std::string, OrientType > > & atomSyms () const
 

Additional Inherited Members

- Public Types inherited from RDKit::MolDraw2D
enum  OrientType {
  C = 0, N, E, S,
  W
}
 
enum  TextDrawType { TextDrawNormal = 0, TextDrawSuperscript, TextDrawSubscript }
 

Detailed Description

Definition at line 27 of file MolDraw2Dwx.h.

Constructor & Destructor Documentation

◆ MolDraw2Dwx()

RDKit::MolDraw2Dwx::MolDraw2Dwx ( int  width,
int  height,
wxDC &  dc 
)
inline

Definition at line 29 of file MolDraw2Dwx.h.

Member Function Documentation

◆ clearDrawing()

void RDKit::MolDraw2Dwx::clearDrawing ( )
inlinevirtual

Implements RDKit::MolDraw2D.

Definition at line 80 of file MolDraw2Dwx.h.

References RDKit::MolDrawOptions::backgroundColour, RDKit::MolDraw2D::drawOptions(), RDKit::MolDraw2D::height(), setColour(), and RDKit::MolDraw2D::width().

◆ drawChar()

void RDKit::MolDraw2Dwx::drawChar ( char  c,
const Point2D &  cds 
)
inlinevirtual

Implements RDKit::MolDraw2D.

Definition at line 65 of file MolDraw2Dwx.h.

References RDGeom::Point2D::x, and RDGeom::Point2D::y.

◆ drawLine()

void RDKit::MolDraw2Dwx::drawLine ( const Point2D &  cds1,
const Point2D &  cds2 
)
inlinevirtual

Implements RDKit::MolDraw2D.

Definition at line 59 of file MolDraw2Dwx.h.

References RDKit::MolDraw2D::getDrawCoords(), RDGeom::Point2D::x, and RDGeom::Point2D::y.

◆ drawPolygon()

void RDKit::MolDraw2Dwx::drawPolygon ( const std::vector< Point2D > &  cds)
inlinevirtual

Implements RDKit::MolDraw2D.

Definition at line 69 of file MolDraw2Dwx.h.

References RDKit::MolDraw2D::getDrawCoords(), PRECONDITION, RDGeom::Point2D::x, and RDGeom::Point2D::y.

◆ getStringSize()

void RDKit::MolDraw2Dwx::getStringSize ( const std::string &  label,
double &  label_width,
double &  label_height 
) const
inlinevirtual

Implements RDKit::MolDraw2D.

Definition at line 91 of file MolDraw2Dwx.h.

References RDKit::MolDraw2D::height(), RDKit::MolDraw2D::scale(), and RDKit::MolDraw2D::width().

◆ setColour()

void RDKit::MolDraw2Dwx::setColour ( const DrawColour &  col)
inlinevirtual

Reimplemented from RDKit::MolDraw2D.

Definition at line 48 of file MolDraw2Dwx.h.

References RDKit::MolDraw2D::colour(), and RDKit::MolDraw2D::setColour().

Referenced by clearDrawing().

◆ setFontSize()

void RDKit::MolDraw2Dwx::setFontSize ( double  new_size)
inlinevirtual

Reimplemented from RDKit::MolDraw2D.

Definition at line 39 of file MolDraw2Dwx.h.

References RDKit::MolDraw2D::fontSize(), RDKit::MolDraw2D::scale(), and RDKit::MolDraw2D::setFontSize().

The documentation for this class was generated from the following file: