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RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>
#include <vector>
#include <Geometry/point.h>
#include <Geometry/Transform2D.h>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/ChemReactions/Reaction.h>
Go to the source code of this file.
Classes | |
struct | RDKit::DrawColour |
struct | RDKit::MolDrawShape |
extra shape to add to canvas More... | |
struct | RDKit::StringRect |
struct | RDKit::AnnotationType |
struct | RDKit::MolDrawOptions |
class | RDKit::MolDraw2D |
MolDraw2D is the base class for doing 2D renderings of molecules. More... | |
Namespaces | |
RDKit | |
Std stuff. | |
Typedefs | |
typedef std::map< int, DrawColour > | RDKit::ColourPalette |
typedef std::vector< double > | RDKit::DashPattern |
Enumerations | |
enum class | RDKit::OrientType : unsigned char { RDKit::C = 0 , RDKit::N , RDKit::E , RDKit::S , RDKit::W } |
enum class | RDKit::TextAlignType : unsigned char { RDKit::MIDDLE = 0 , RDKit::START , RDKit::END } |
enum class | RDKit::MolDrawShapeType { RDKit::Arrow , RDKit::Polyline , RDKit::Ellipse } |
for annotating the type of the extra shapes More... | |
Functions | |
void | RDKit::assignDefaultPalette (ColourPalette &palette) |
void | RDKit::assignBWPalette (ColourPalette &palette) |
RDKIT_MOLDRAW2D_EXPORT bool | RDKit::doLinesIntersect (const Point2D &l1s, const Point2D &l1f, const Point2D &l2s, const Point2D &l2f, Point2D *ip=nullptr) |
RDKIT_MOLDRAW2D_EXPORT bool | RDKit::doesLineIntersectLabel (const Point2D &ls, const Point2D &lf, const StringRect &lab_rect, double padding=0.0) |