RDKit
Open-source cheminformatics and machine learning.
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
 
std::vector< DrawColourhighlightColourPalette
 
ColourPalette atomColourPalette
 

Detailed Description

Definition at line 62 of file MolDraw2D.h.

Constructor & Destructor Documentation

RDKit::MolDrawOptions::MolDrawOptions ( )
inline

Definition at line 99 of file MolDraw2D.h.

References RDKit::assignDefaultPalette().

Member Data Documentation

double RDKit::MolDrawOptions::additionalAtomLabelPadding

Definition at line 85 of file MolDraw2D.h.

ColourPalette RDKit::MolDrawOptions::atomColourPalette

Definition at line 95 of file MolDraw2D.h.

bool RDKit::MolDrawOptions::atomLabelDeuteriumTritium

Definition at line 63 of file MolDraw2D.h.

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

Definition at line 88 of file MolDraw2D.h.

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

Definition at line 89 of file MolDraw2D.h.

DrawColour RDKit::MolDrawOptions::backgroundColour

Definition at line 78 of file MolDraw2D.h.

Referenced by RDKit::MolDraw2Dwx::clearDrawing().

bool RDKit::MolDrawOptions::circleAtoms

Definition at line 65 of file MolDraw2D.h.

bool RDKit::MolDrawOptions::clearBackground

Definition at line 75 of file MolDraw2D.h.

bool RDKit::MolDrawOptions::continuousHighlight

Definition at line 67 of file MolDraw2D.h.

bool RDKit::MolDrawOptions::dummiesAreAttachments

Definition at line 64 of file MolDraw2D.h.

bool RDKit::MolDrawOptions::fillHighlights

Definition at line 69 of file MolDraw2D.h.

int RDKit::MolDrawOptions::flagCloseContactsDist

Definition at line 71 of file MolDraw2D.h.

DrawColour RDKit::MolDrawOptions::highlightColour

Definition at line 66 of file MolDraw2D.h.

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

Definition at line 92 of file MolDraw2D.h.

bool RDKit::MolDrawOptions::includeAtomTags

Definition at line 73 of file MolDraw2D.h.

DrawColour RDKit::MolDrawOptions::legendColour

Definition at line 81 of file MolDraw2D.h.

int RDKit::MolDrawOptions::legendFontSize

Definition at line 79 of file MolDraw2D.h.

double RDKit::MolDrawOptions::multipleBondOffset

Definition at line 82 of file MolDraw2D.h.

double RDKit::MolDrawOptions::padding

Definition at line 84 of file MolDraw2D.h.

DrawColour RDKit::MolDrawOptions::symbolColour

Definition at line 91 of file MolDraw2D.h.


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