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RDKit
Open-source cheminformatics and machine learning.
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#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 |
Definition at line 89 of file MolDraw2D.h.
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inline |
Definition at line 130 of file MolDraw2D.h.
References RDKit::assignDefaultPalette().
double RDKit::MolDrawOptions::additionalAtomLabelPadding |
Definition at line 112 of file MolDraw2D.h.
ColourPalette RDKit::MolDrawOptions::atomColourPalette |
Definition at line 126 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::atomLabelDeuteriumTritium |
Definition at line 90 of file MolDraw2D.h.
std::map<int, std::string> RDKit::MolDrawOptions::atomLabels |
Definition at line 115 of file MolDraw2D.h.
std::vector<std::vector<int> > RDKit::MolDrawOptions::atomRegions |
Definition at line 116 of file MolDraw2D.h.
DrawColour RDKit::MolDrawOptions::backgroundColour |
Definition at line 105 of file MolDraw2D.h.
int RDKit::MolDrawOptions::bondLineWidth |
Definition at line 119 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::circleAtoms |
Definition at line 92 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::clearBackground |
Definition at line 102 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::continuousHighlight |
Definition at line 94 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::dummiesAreAttachments |
Definition at line 91 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::fillHighlights |
Definition at line 96 of file MolDraw2D.h.
int RDKit::MolDrawOptions::flagCloseContactsDist |
Definition at line 98 of file MolDraw2D.h.
DrawColour RDKit::MolDrawOptions::highlightColour |
Definition at line 93 of file MolDraw2D.h.
std::vector<DrawColour> RDKit::MolDrawOptions::highlightColourPalette |
Definition at line 123 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::includeAtomTags |
Definition at line 100 of file MolDraw2D.h.
DrawColour RDKit::MolDrawOptions::legendColour |
Definition at line 108 of file MolDraw2D.h.
int RDKit::MolDrawOptions::legendFontSize |
Definition at line 106 of file MolDraw2D.h.
double RDKit::MolDrawOptions::multipleBondOffset |
Definition at line 109 of file MolDraw2D.h.
double RDKit::MolDrawOptions::padding |
Definition at line 111 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::prepareMolsBeforeDrawing |
Definition at line 121 of file MolDraw2D.h.
DrawColour RDKit::MolDrawOptions::symbolColour |
Definition at line 118 of file MolDraw2D.h.