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RDKit
Open-source cheminformatics and machine learning.
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#include <MolDraw2Dwx.h>
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 |
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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::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 (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 const int | lineWidth () const |
bool | setStringDrawMode (const std::string &instring, int &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 | |
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enum | OrientType { C = 0, N, E, S, W } |
Definition at line 27 of file MolDraw2Dwx.h.
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inline |
Definition at line 31 of file MolDraw2Dwx.h.
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inlinevirtual |
Implements RDKit::MolDraw2D.
Definition at line 85 of file MolDraw2Dwx.h.
References RDKit::MolDraw2D::height(), and RDKit::MolDraw2D::width().
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inlinevirtual |
Implements RDKit::MolDraw2D.
Definition at line 69 of file MolDraw2Dwx.h.
References RDGeom::Point2D::x, and RDGeom::Point2D::y.
Implements RDKit::MolDraw2D.
Definition at line 62 of file MolDraw2Dwx.h.
References RDKit::MolDraw2D::getDrawCoords(), RDGeom::Point2D::x, and RDGeom::Point2D::y.
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inlinevirtual |
Implements RDKit::MolDraw2D.
Definition at line 74 of file MolDraw2Dwx.h.
References RDKit::MolDraw2D::getDrawCoords(), PRECONDITION, RDGeom::Point2D::x, and RDGeom::Point2D::y.
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inlinevirtual |
Implements RDKit::MolDraw2D.
Definition at line 100 of file MolDraw2Dwx.h.
References RDKit::MolDraw2D::height(), RDKit::MolDraw2D::scale(), and RDKit::MolDraw2D::width().
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inlinevirtual |
Reimplemented from RDKit::MolDraw2D.
Definition at line 50 of file MolDraw2Dwx.h.
References RDKit::MolDraw2D::colour(), and RDKit::MolDraw2D::setColour().
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inlinevirtual |
Reimplemented from RDKit::MolDraw2D.
Definition at line 40 of file MolDraw2Dwx.h.
References RDKit::MolDraw2D::fontSize(), RDKit::MolDraw2D::scale(), and RDKit::MolDraw2D::setFontSize().