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RDKit
Open-source cheminformatics and machine learning.
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#include <MolDraw2DHelpers.h>
Public Member Functions | |
MolDrawOptions () | |
Definition at line 146 of file MolDraw2DHelpers.h.
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inline |
Definition at line 286 of file MolDraw2DHelpers.h.
References RDKit::assignDefaultPalette().
bool RDKit::MolDrawOptions::addAtomIndices = false |
Definition at line 231 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::addBondIndices = false |
Definition at line 232 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::additionalAtomLabelPadding = 0.0 |
Definition at line 193 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::addStereoAnnotation = false |
Definition at line 236 of file MolDraw2DHelpers.h.
DrawColour RDKit::MolDrawOptions::annotationColour {0, 0, 0, 1} |
Definition at line 202 of file MolDraw2DHelpers.h.
Referenced by RDKit::setDarkMode(), and RDKit::setMonochromeMode().
double RDKit::MolDrawOptions::annotationFontScale = 0.5 |
Definition at line 180 of file MolDraw2DHelpers.h.
ColourPalette RDKit::MolDrawOptions::atomColourPalette |
Definition at line 213 of file MolDraw2DHelpers.h.
Referenced by RDKit::setDarkMode(), and RDKit::setMonochromeMode().
bool RDKit::MolDrawOptions::atomHighlightsAreCircles = false |
Definition at line 237 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::atomLabelDeuteriumTritium |
Definition at line 147 of file MolDraw2DHelpers.h.
std::map<int, std::string> RDKit::MolDrawOptions::atomLabels |
Definition at line 196 of file MolDraw2DHelpers.h.
std::vector<std::vector<int> > RDKit::MolDrawOptions::atomRegions |
Definition at line 199 of file MolDraw2DHelpers.h.
DrawColour RDKit::MolDrawOptions::backgroundColour |
Definition at line 168 of file MolDraw2DHelpers.h.
Referenced by RDKit::setDarkMode(), and RDKit::setMonochromeMode().
double RDKit::MolDrawOptions::baseFontSize |
Definition at line 278 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::bondLineWidth = 2.0 |
Definition at line 203 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::centreMoleculesBeforeDrawing = false |
Definition at line 240 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::circleAtoms = true |
Definition at line 150 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::clearBackground = true |
Definition at line 166 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::comicMode = false |
Definition at line 249 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::continuousHighlight = true |
Definition at line 155 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::drawMolsSameScale = true |
Definition at line 282 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::dummiesAreAttachments = false |
Definition at line 149 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::dummyIsotopeLabels = true |
Definition at line 234 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::explicitMethyl = false |
Definition at line 242 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::fillHighlights = true |
Definition at line 157 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::fixedBondLength |
Definition at line 221 of file MolDraw2DHelpers.h.
int RDKit::MolDrawOptions::fixedFontSize |
Definition at line 177 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::fixedScale |
Definition at line 216 of file MolDraw2DHelpers.h.
int RDKit::MolDrawOptions::flagCloseContactsDist = 3 |
Definition at line 161 of file MolDraw2DHelpers.h.
std::string RDKit::MolDrawOptions::fontFile = "" |
Definition at line 182 of file MolDraw2DHelpers.h.
int RDKit::MolDrawOptions::highlightBondWidthMultiplier = 8 |
Definition at line 206 of file MolDraw2DHelpers.h.
DrawColour RDKit::MolDrawOptions::highlightColour {1, 0.5, 0.5, 1.0} |
Definition at line 154 of file MolDraw2DHelpers.h.
std::vector<DrawColour> RDKit::MolDrawOptions::highlightColourPalette |
Definition at line 210 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::highlightRadius = 0.3 |
Definition at line 159 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::includeAtomTags |
Definition at line 163 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::includeChiralFlagLabel |
Definition at line 258 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::includeMetadata |
Definition at line 246 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::includeRadicals |
Definition at line 243 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::isotopeLabels = true |
Definition at line 233 of file MolDraw2DHelpers.h.
DrawColour RDKit::MolDrawOptions::legendColour |
Definition at line 186 of file MolDraw2DHelpers.h.
Referenced by RDKit::setDarkMode(), and RDKit::setMonochromeMode().
int RDKit::MolDrawOptions::legendFontSize = 16 |
Definition at line 170 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::legendFraction |
Definition at line 172 of file MolDraw2DHelpers.h.
int RDKit::MolDrawOptions::maxFontSize = 40 |
Definition at line 174 of file MolDraw2DHelpers.h.
int RDKit::MolDrawOptions::minFontSize = 6 |
Definition at line 176 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::multipleBondOffset = 0.15 |
Definition at line 188 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::noAtomLabels |
Definition at line 197 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::padding |
Definition at line 191 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::prepareMolsBeforeDrawing = true |
Definition at line 208 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::rotate = 0.0 |
Definition at line 229 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::scaleBondWidth = false |
Definition at line 204 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::scaleHighlightBondWidth = true |
Definition at line 205 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::scalingFactor = 20.0 |
Definition at line 276 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::simplifiedStereoGroupLabel |
Definition at line 260 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::singleColourWedgeBonds |
Definition at line 269 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::splitBonds = false |
Definition at line 151 of file MolDraw2DHelpers.h.
DrawColour RDKit::MolDrawOptions::symbolColour |
Definition at line 200 of file MolDraw2DHelpers.h.
Referenced by RDKit::setDarkMode(), and RDKit::setMonochromeMode().
bool RDKit::MolDrawOptions::unspecifiedStereoIsUnknown = false |
Definition at line 264 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::useMolBlockWedging = false |
Definition at line 273 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::variableAtomRadius = 0.4 |
Definition at line 254 of file MolDraw2DHelpers.h.
DrawColour RDKit::MolDrawOptions::variableAttachmentColour |
Definition at line 256 of file MolDraw2DHelpers.h.
Referenced by RDKit::setDarkMode(), and RDKit::setMonochromeMode().
int RDKit::MolDrawOptions::variableBondWidthMultiplier = 16 |
Definition at line 252 of file MolDraw2DHelpers.h.