RDKit
Open-source cheminformatics and machine learning.
Public Member Functions | Public Attributes | List of all members
RDKit::MolDrawOptions Struct Reference

#include <MolDraw2D.h>

Public Member Functions

 MolDrawOptions ()
 

Public Attributes

bool atomLabelDeuteriumTritium
 
bool dummiesAreAttachments
 
bool circleAtoms
 
DrawColour highlightColour
 
bool continuousHighlight
 
bool fillHighlights
 
int flagCloseContactsDist
 
bool includeAtomTags
 
bool clearBackground
 
DrawColour backgroundColour
 
int legendFontSize
 
DrawColour legendColour
 
double multipleBondOffset
 
double padding
 
double additionalAtomLabelPadding
 
std::map< int, std::string > atomLabels
 
std::vector< std::vector< int > > atomRegions
 
DrawColour symbolColour
 
int bondLineWidth
 
bool prepareMolsBeforeDrawing
 
std::vector< DrawColour > highlightColourPalette
 
ColourPalette atomColourPalette
 

Detailed Description

Definition at line 89 of file MolDraw2D.h.

Constructor & Destructor Documentation

◆ MolDrawOptions()

RDKit::MolDrawOptions::MolDrawOptions ( )
inline

Definition at line 130 of file MolDraw2D.h.

References RDKit::assignDefaultPalette().

Member Data Documentation

◆ additionalAtomLabelPadding

double RDKit::MolDrawOptions::additionalAtomLabelPadding

Definition at line 112 of file MolDraw2D.h.

◆ atomColourPalette

ColourPalette RDKit::MolDrawOptions::atomColourPalette

Definition at line 126 of file MolDraw2D.h.

◆ atomLabelDeuteriumTritium

bool RDKit::MolDrawOptions::atomLabelDeuteriumTritium

Definition at line 90 of file MolDraw2D.h.

◆ atomLabels

std::map<int, std::string> RDKit::MolDrawOptions::atomLabels

Definition at line 115 of file MolDraw2D.h.

◆ atomRegions

std::vector<std::vector<int> > RDKit::MolDrawOptions::atomRegions

Definition at line 116 of file MolDraw2D.h.

◆ backgroundColour

DrawColour RDKit::MolDrawOptions::backgroundColour

Definition at line 105 of file MolDraw2D.h.

◆ bondLineWidth

int RDKit::MolDrawOptions::bondLineWidth

Definition at line 119 of file MolDraw2D.h.

◆ circleAtoms

bool RDKit::MolDrawOptions::circleAtoms

Definition at line 92 of file MolDraw2D.h.

◆ clearBackground

bool RDKit::MolDrawOptions::clearBackground

Definition at line 102 of file MolDraw2D.h.

◆ continuousHighlight

bool RDKit::MolDrawOptions::continuousHighlight

Definition at line 94 of file MolDraw2D.h.

◆ dummiesAreAttachments

bool RDKit::MolDrawOptions::dummiesAreAttachments

Definition at line 91 of file MolDraw2D.h.

◆ fillHighlights

bool RDKit::MolDrawOptions::fillHighlights

Definition at line 96 of file MolDraw2D.h.

◆ flagCloseContactsDist

int RDKit::MolDrawOptions::flagCloseContactsDist

Definition at line 98 of file MolDraw2D.h.

◆ highlightColour

DrawColour RDKit::MolDrawOptions::highlightColour

Definition at line 93 of file MolDraw2D.h.

◆ highlightColourPalette

std::vector<DrawColour> RDKit::MolDrawOptions::highlightColourPalette

Definition at line 123 of file MolDraw2D.h.

◆ includeAtomTags

bool RDKit::MolDrawOptions::includeAtomTags

Definition at line 100 of file MolDraw2D.h.

◆ legendColour

DrawColour RDKit::MolDrawOptions::legendColour

Definition at line 108 of file MolDraw2D.h.

◆ legendFontSize

int RDKit::MolDrawOptions::legendFontSize

Definition at line 106 of file MolDraw2D.h.

◆ multipleBondOffset

double RDKit::MolDrawOptions::multipleBondOffset

Definition at line 109 of file MolDraw2D.h.

◆ padding

double RDKit::MolDrawOptions::padding

Definition at line 111 of file MolDraw2D.h.

◆ prepareMolsBeforeDrawing

bool RDKit::MolDrawOptions::prepareMolsBeforeDrawing

Definition at line 121 of file MolDraw2D.h.

◆ symbolColour

DrawColour RDKit::MolDrawOptions::symbolColour

Definition at line 118 of file MolDraw2D.h.

The documentation for this struct was generated from the following file: