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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 295 of file MolDraw2DHelpers.h.
References RDKit::assignDefaultPalette().
Definition at line 235 of file MolDraw2DHelpers.h.
Definition at line 236 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::additionalAtomLabelPadding = 0.0 |
Definition at line 195 of file MolDraw2DHelpers.h.
Definition at line 240 of file MolDraw2DHelpers.h.
DrawColour RDKit::MolDrawOptions::annotationColour |
Definition at line 205 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::annotationFontScale = 0.5 |
Definition at line 182 of file MolDraw2DHelpers.h.
ColourPalette RDKit::MolDrawOptions::atomColourPalette |
Definition at line 217 of file MolDraw2DHelpers.h.
Definition at line 241 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 198 of file MolDraw2DHelpers.h.
std::vector<std::vector<int> > RDKit::MolDrawOptions::atomRegions |
Definition at line 201 of file MolDraw2DHelpers.h.
DrawColour RDKit::MolDrawOptions::backgroundColour |
Definition at line 168 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::baseFontSize |
Definition at line 282 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::bondLineWidth = 2.0 |
Definition at line 207 of file MolDraw2DHelpers.h.
Definition at line 244 of file MolDraw2DHelpers.h.
Definition at line 150 of file MolDraw2DHelpers.h.
Definition at line 166 of file MolDraw2DHelpers.h.
Definition at line 253 of file MolDraw2DHelpers.h.
Definition at line 155 of file MolDraw2DHelpers.h.
Definition at line 286 of file MolDraw2DHelpers.h.
Definition at line 149 of file MolDraw2DHelpers.h.
Definition at line 238 of file MolDraw2DHelpers.h.
Definition at line 246 of file MolDraw2DHelpers.h.
Definition at line 157 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::fixedBondLength |
Definition at line 225 of file MolDraw2DHelpers.h.
int RDKit::MolDrawOptions::fixedFontSize |
Definition at line 179 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::fixedScale |
Definition at line 220 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 184 of file MolDraw2DHelpers.h.
int RDKit::MolDrawOptions::highlightBondWidthMultiplier = 8 |
Definition at line 210 of file MolDraw2DHelpers.h.
DrawColour RDKit::MolDrawOptions::highlightColour {1.0, 0.5, 0.5, 1.0} |
Definition at line 154 of file MolDraw2DHelpers.h.
std::vector<DrawColour> RDKit::MolDrawOptions::highlightColourPalette |
Definition at line 214 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 262 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::includeMetadata |
Definition at line 250 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::includeRadicals |
Definition at line 247 of file MolDraw2DHelpers.h.
Definition at line 237 of file MolDraw2DHelpers.h.
DrawColour RDKit::MolDrawOptions::legendColour |
Definition at line 188 of file MolDraw2DHelpers.h.
int RDKit::MolDrawOptions::legendFontSize = 16 |
Definition at line 172 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::legendFraction |
Definition at line 174 of file MolDraw2DHelpers.h.
int RDKit::MolDrawOptions::maxFontSize = 40 |
Definition at line 176 of file MolDraw2DHelpers.h.
int RDKit::MolDrawOptions::minFontSize = 6 |
Definition at line 178 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::multipleBondOffset = 0.15 |
Definition at line 190 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::noAtomLabels |
Definition at line 199 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::padding |
Definition at line 193 of file MolDraw2DHelpers.h.
Definition at line 212 of file MolDraw2DHelpers.h.
DrawColour RDKit::MolDrawOptions::queryColour |
Definition at line 170 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::rotate = 0.0 |
Definition at line 233 of file MolDraw2DHelpers.h.
Definition at line 208 of file MolDraw2DHelpers.h.
Definition at line 209 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::scalingFactor = 20.0 |
Definition at line 280 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::simplifiedStereoGroupLabel |
Definition at line 264 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::singleColourWedgeBonds |
Definition at line 273 of file MolDraw2DHelpers.h.
Definition at line 151 of file MolDraw2DHelpers.h.
DrawColour RDKit::MolDrawOptions::symbolColour |
Definition at line 202 of file MolDraw2DHelpers.h.
Definition at line 268 of file MolDraw2DHelpers.h.
bool RDKit::MolDrawOptions::useComplexQueryAtomSymbols |
Definition at line 289 of file MolDraw2DHelpers.h.
Definition at line 277 of file MolDraw2DHelpers.h.
double RDKit::MolDrawOptions::variableAtomRadius = 0.4 |
Definition at line 258 of file MolDraw2DHelpers.h.
DrawColour RDKit::MolDrawOptions::variableAttachmentColour |
Definition at line 260 of file MolDraw2DHelpers.h.
int RDKit::MolDrawOptions::variableBondWidthMultiplier = 16 |
Definition at line 256 of file MolDraw2DHelpers.h.