RDKit
Open-source cheminformatics and machine learning.
MolDrawing.h File Reference
#include <vector>
#include <boost/foreach.hpp>
#include <boost/lexical_cast.hpp>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/Depictor/RDDepictor.h>
#include <Geometry/point.h>

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Namespaces

 RDKit
 Includes a bunch of functionality for handling Atom and Bond queries.
 
 RDKit::Drawing
 
 RDKit::Drawing::detail
 

Typedefs

typedef int RDKit::Drawing::ElementType
 

Enumerations

enum  RDKit::Drawing::PrimType {
  RDKit::Drawing::LINE = 1, RDKit::Drawing::WEDGE, RDKit::Drawing::ATOM, RDKit::Drawing::BOUNDS,
  RDKit::Drawing::RESOLUTION
}
 
enum  RDKit::Drawing::OrientType {
  RDKit::Drawing::C = 0, RDKit::Drawing::N, RDKit::Drawing::E, RDKit::Drawing::S,
  RDKit::Drawing::W
}
 

Functions

void RDKit::Drawing::detail::drawLine (std::vector< ElementType > &res, int atnum1, int atnum2, int lineWidth, int dashed, double x1, double y1, double x2, double y2)
 
std::pair< std::string, OrientType > RDKit::Drawing::detail::getAtomSymbolAndOrientation (const Atom &atom, RDGeom::Point2D nbrSum)
 
std::vector< ElementType > RDKit::Drawing::DrawMol (const ROMol &mol, int confId=-1, const std::vector< int > *highlightAtoms=0, bool includeAtomCircles=false, unsigned int dotsPerAngstrom=100, double dblBondOffset=0.3, double dblBondLengthFrac=0.8, double angstromsPerChar=0.20)
 
std::vector< int > RDKit::Drawing::MolToDrawing (const RDKit::ROMol &mol, const std::vector< int > *highlightAtoms=0, bool kekulize=true, bool includeAtomCircles=false)