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RDKit
Open-source cheminformatics and machine learning.
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#include <MolDraw2D.h>
Public Types | |
enum | OrientType { C = 0, N, E, S, W } |
Public Member Functions | |
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 void | setFontSize (double new_size) |
virtual void | setColour (const DrawColour &col) |
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 | clearDrawing ()=0 |
virtual void | drawLine (const Point2D &cds1, const Point2D &cds2)=0 |
virtual void | getStringSize (const std::string &label, double &label_width, double &label_height) const =0 |
virtual void | drawString (const std::string &str, const Point2D &cds) |
virtual void | drawPolygon (const std::vector< Point2D > &cds)=0 |
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 |
Definition at line 60 of file MolDraw2D.h.
Enumerator | |
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C | |
N | |
E | |
S | |
W |
Definition at line 63 of file MolDraw2D.h.
RDKit::MolDraw2D::MolDraw2D | ( | int | width, |
int | height | ||
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inlinevirtual |
Definition at line 66 of file MolDraw2D.h.
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inline |
Definition at line 159 of file MolDraw2D.h.
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inline |
Definition at line 160 of file MolDraw2D.h.
References RDKit::Drawing::detail::drawLine(), and RDKit::Drawing::detail::getAtomSymbolAndOrientation().
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virtual |
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pure virtual |
Implemented in RDKit::MolDraw2Dwx, RDKit::MolDraw2DCairo, RDKit::MolDraw2DSVG, and RDKit::MolDraw2DQt.
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inlinevirtual |
Definition at line 106 of file MolDraw2D.h.
Referenced by RDKit::MolDraw2Dwx::setColour().
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inlinevirtual |
Definition at line 109 of file MolDraw2D.h.
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virtual |
Reimplemented in RDKit::MolDraw2DSVG.
Implemented in RDKit::MolDraw2Dwx, RDKit::MolDraw2DCairo, RDKit::MolDraw2DSVG, and RDKit::MolDraw2DQt.
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virtual |
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virtual |
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inline |
Definition at line 156 of file MolDraw2D.h.
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inline |
Definition at line 157 of file MolDraw2D.h.
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pure virtual |
Implemented in RDKit::MolDraw2Dwx, RDKit::MolDraw2DCairo, RDKit::MolDraw2DSVG, and RDKit::MolDraw2DQt.
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virtual |
Reimplemented in RDKit::MolDraw2DSVG.
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virtual |
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inlinevirtual |
Definition at line 153 of file MolDraw2D.h.
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inlinevirtual |
Definition at line 100 of file MolDraw2D.h.
Referenced by RDKit::MolDraw2Dwx::setFontSize().
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virtual |
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virtual |
Referenced by RDKit::MolDraw2Dwx::drawLine(), and RDKit::MolDraw2Dwx::drawPolygon().
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virtual |
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pure virtual |
Implemented in RDKit::MolDraw2Dwx, RDKit::MolDraw2DCairo, RDKit::MolDraw2DSVG, and RDKit::MolDraw2DQt.
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inlinevirtual |
Definition at line 95 of file MolDraw2D.h.
Referenced by RDKit::MolDraw2Dwx::clearDrawing(), and RDKit::MolDraw2Dwx::getStringSize().
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inlinevirtual |
Definition at line 112 of file MolDraw2D.h.
References RDKit::Drawing::detail::drawLine().
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inlinevirtual |
Definition at line 97 of file MolDraw2D.h.
Referenced by RDKit::MolDraw2Dwx::getStringSize(), and RDKit::MolDraw2Dwx::setFontSize().
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inlinevirtual |
Reimplemented in RDKit::MolDraw2DCairo, RDKit::MolDraw2Dwx, RDKit::MolDraw2DSVG, and RDKit::MolDraw2DQt.
Definition at line 105 of file MolDraw2D.h.
Referenced by RDKit::MolDraw2Dwx::setColour().
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inlinevirtual |
Definition at line 108 of file MolDraw2D.h.
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inlinevirtual |
Definition at line 154 of file MolDraw2D.h.
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virtual |
Reimplemented in RDKit::MolDraw2DCairo, RDKit::MolDraw2Dwx, RDKit::MolDraw2DSVG, and RDKit::MolDraw2DQt.
Referenced by RDKit::MolDraw2Dwx::setFontSize().
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inlinevirtual |
Definition at line 111 of file MolDraw2D.h.
bool RDKit::MolDraw2D::setStringDrawMode | ( | const std::string & | instring, |
int & | draw_mode, | ||
int & | i | ||
) | const |
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inlinevirtual |
Reimplemented in RDKit::MolDraw2DSVG.
Definition at line 151 of file MolDraw2D.h.
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inlinevirtual |
Definition at line 94 of file MolDraw2D.h.
Referenced by RDKit::MolDraw2Dwx::clearDrawing(), and RDKit::MolDraw2Dwx::getStringSize().