RDKit
Open-source cheminformatics and machine learning.
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MolDraw2DHelpers.h File Reference

Go to the source code of this file.

Classes

struct  RDKit::DrawColour
struct  RDKit::MolDrawOptions

Namespaces

namespace  RDKit
 Std stuff.
namespace  RDKit::MolDraw2D_detail

Typedefs

typedef std::map< int, DrawColourRDKit::ColourPalette
typedef std::vector< double > RDKit::DashPattern

Enumerations

enum class  RDKit::MolDraw2D_detail::OrientType : unsigned char {
  RDKit::MolDraw2D_detail::C = 0 , RDKit::MolDraw2D_detail::N , RDKit::MolDraw2D_detail::E , RDKit::MolDraw2D_detail::S ,
  RDKit::MolDraw2D_detail::W
}
enum class  RDKit::MolDraw2D_detail::TextAlignType : unsigned char { RDKit::MolDraw2D_detail::MIDDLE = 0 , RDKit::MolDraw2D_detail::START , RDKit::MolDraw2D_detail::END }
enum class  RDKit::MultiColourHighlightStyle { RDKit::CIRCLEANDLINE , RDKit::LASSO }

Functions

void RDKit::assignDefaultPalette (ColourPalette &palette)
 use the RDKit's default palette r
void RDKit::assignAvalonPalette (ColourPalette &palette)
 use the color palette from the Avalon renderer
void RDKit::assignCDKPalette (ColourPalette &palette)
 use (part of) the CDK color palette
void RDKit::assignDarkModePalette (ColourPalette &palette)
void RDKit::assignBWPalette (ColourPalette &palette)
 RDKit::BETTER_ENUM (DrawElement, uint32_t, NONE=0, PRESHAPES=1<< 0, BONDS=1<< 1, ATOMLABELS=1<< 2, HIGHLIGHTS=1<< 3, ANNOTATIONS=1<< 4, RADICALS=1<< 5, POSTSHAPES=1<< 6, ALL=0x7fffffff)

Variables

static const double RDKit::lineWidthScaleFactor = 0.02