RDKit
Open-source cheminformatics and machine learning.
MolDraw2DUtils.h File Reference
#include <RDGeneral/export.h>
#include <GraphMol/RWMol.h>
#include <boost/tuple/tuple.hpp>

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Namespaces

 RDKit
 Std stuff.
 
 RDKit::MolDraw2DUtils
 

Functions

RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2DUtils::prepareMolForDrawing (RWMol &mol, bool kekulize=true, bool addChiralHs=true, bool wedgeBonds=true, bool forceCoords=false)
 Does some cleanup operations on the molecule to prepare it to draw nicely. More...
 
RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2DUtils::prepareAndDrawMolecule (MolDraw2D &drawer, const ROMol &mol, const std::string &legend="", const std::vector< int > *highlight_atoms=nullptr, const std::vector< int > *highlight_bonds=nullptr, const std::map< int, DrawColour > *highlight_atom_map=nullptr, const std::map< int, DrawColour > *highlight_bond_map=nullptr, const std::map< int, double > *highlight_radii=nullptr, int confId=-1)
 prepare a molecule for drawing and draw it More...
 
RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2DUtils::updateDrawerParamsFromJSON (MolDraw2D &drawer, const char *json)
 
RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2DUtils::updateDrawerParamsFromJSON (MolDraw2D &drawer, const std::string &json)