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RDKit
Open-source cheminformatics and machine learning.
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#include <MolDraw2D.h>
Public Member Functions | |
MolDrawOptions () | |
Definition at line 171 of file MolDraw2D.h.
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inline |
Definition at line 259 of file MolDraw2D.h.
References RDKit::assignDefaultPalette().
bool RDKit::MolDrawOptions::addAtomIndices = false |
Definition at line 242 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::addBondIndices = false |
Definition at line 243 of file MolDraw2D.h.
double RDKit::MolDrawOptions::additionalAtomLabelPadding = 0.0 |
Definition at line 207 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::addStereoAnnotation = false |
Definition at line 245 of file MolDraw2D.h.
double RDKit::MolDrawOptions::annotationFontScale = 0.5 |
Definition at line 197 of file MolDraw2D.h.
ColourPalette RDKit::MolDrawOptions::atomColourPalette |
Definition at line 224 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::atomHighlightsAreCircles = false |
Definition at line 246 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::atomLabelDeuteriumTritium |
Definition at line 172 of file MolDraw2D.h.
std::map<int, std::string> RDKit::MolDrawOptions::atomLabels |
Definition at line 210 of file MolDraw2D.h.
std::vector<std::vector<int> > RDKit::MolDrawOptions::atomRegions |
Definition at line 211 of file MolDraw2D.h.
DrawColour RDKit::MolDrawOptions::backgroundColour |
Definition at line 190 of file MolDraw2D.h.
int RDKit::MolDrawOptions::bondLineWidth = 2 |
Definition at line 214 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::centreMoleculesBeforeDrawing = false |
Definition at line 249 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::circleAtoms = true |
Definition at line 175 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::clearBackground = true |
Definition at line 188 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::continuousHighlight = true |
Definition at line 177 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::dummiesAreAttachments = false |
Definition at line 174 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::explicitMethyl = false |
Definition at line 251 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::fillHighlights = true |
Definition at line 179 of file MolDraw2D.h.
double RDKit::MolDrawOptions::fixedBondLength |
Definition at line 232 of file MolDraw2D.h.
double RDKit::MolDrawOptions::fixedScale |
Definition at line 227 of file MolDraw2D.h.
int RDKit::MolDrawOptions::flagCloseContactsDist = 3 |
Definition at line 183 of file MolDraw2D.h.
std::string RDKit::MolDrawOptions::fontFile = "" |
Definition at line 199 of file MolDraw2D.h.
int RDKit::MolDrawOptions::highlightBondWidthMultiplier = 8 |
Definition at line 217 of file MolDraw2D.h.
DrawColour RDKit::MolDrawOptions::highlightColour {1, 0.5, 0.5} |
Definition at line 176 of file MolDraw2D.h.
std::vector<DrawColour> RDKit::MolDrawOptions::highlightColourPalette |
Definition at line 221 of file MolDraw2D.h.
double RDKit::MolDrawOptions::highlightRadius = 0.3 |
Definition at line 181 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::includeAtomTags |
Definition at line 185 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::includeMetadata |
Definition at line 255 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::includeRadicals |
Definition at line 252 of file MolDraw2D.h.
DrawColour RDKit::MolDrawOptions::legendColour |
Definition at line 201 of file MolDraw2D.h.
int RDKit::MolDrawOptions::legendFontSize = 16 |
Definition at line 192 of file MolDraw2D.h.
int RDKit::MolDrawOptions::maxFontSize = 40 |
Definition at line 194 of file MolDraw2D.h.
int RDKit::MolDrawOptions::minFontSize = 6 |
Definition at line 196 of file MolDraw2D.h.
double RDKit::MolDrawOptions::multipleBondOffset = 0.15 |
Definition at line 203 of file MolDraw2D.h.
double RDKit::MolDrawOptions::padding |
Definition at line 205 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::prepareMolsBeforeDrawing = true |
Definition at line 219 of file MolDraw2D.h.
double RDKit::MolDrawOptions::rotate = 0.0 |
Definition at line 240 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::scaleBondWidth = false |
Definition at line 215 of file MolDraw2D.h.
bool RDKit::MolDrawOptions::scaleHighlightBondWidth = true |
Definition at line 216 of file MolDraw2D.h.
DrawColour RDKit::MolDrawOptions::symbolColour |
Definition at line 212 of file MolDraw2D.h.