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RDKit
Open-source cheminformatics and machine learning.
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#include <DrawMol.h>
Public Member Functions | |
virtual | ~DrawMol ()=default |
DrawMol (const ROMol &mol, const std::string &legend, int width, int height, const MolDrawOptions &drawOptions, DrawText &textDrawer, const std::vector< int > *highlightAtoms=nullptr, const std::vector< int > *highlightBonds=nullptr, const std::map< int, DrawColour > *highlightAtomMap=nullptr, const std::map< int, DrawColour > *highlightBondMap=nullptr, const std::vector< std::pair< DrawColour, DrawColour >> *bondColours=nullptr, const std::map< int, double > *highlight_radii=nullptr, bool includeAnnotations=true, int confId=-1, bool isReactionMol=false) | |
DrawMol (int width, int height, const MolDrawOptions &drawOptions, DrawText &textDrawer, double xmin, double xmax, double ymin, double ymax, double scale, double fontscale) | |
DrawMol (const DrawMol &)=delete | |
DrawMol (DrawMol &&)=delete | |
DrawMol & | operator= (const DrawMol &)=delete |
DrawMol & | operator= (DrawMol &&)=delete |
void | createDrawObjects () |
void | finishCreateDrawObjects () |
void | initDrawMolecule (const ROMol &mol) |
void | extractAll (double scale) |
void | extractAtomCoords () |
void | extractAtomSymbols () |
void | extractBonds () |
virtual void | extractHighlights (double scale) |
void | extractRegions () |
void | extractAttachments () |
void | extractMolNotes () |
void | extractAtomNotes () |
void | extractBondNotes () |
void | extractRadicals () |
void | extractSGroupData () |
void | extractVariableBonds () |
void | extractBrackets () |
void | extractLinkNodes () |
void | extractCloseContacts () |
void | calculateScale () |
void | findExtremes () |
void | changeToDrawCoords () |
void | draw (MolDraw2D &drawer) const |
void | drawRadicals (MolDraw2D &drawer) const |
void | resetEverything () |
void | shrinkToFit (bool withPadding=true) |
std::pair< std::string, OrientType > | getAtomSymbolAndOrientation (const Atom &atom) const |
std::string | getAtomSymbol (const Atom &atom, OrientType orientation) const |
OrientType | getAtomOrientation (const Atom &atom) const |
void | partitionForLegend () |
void | extractLegend () |
void | calcMeanBondLength () |
void | makeStandardBond (Bond *bond, double doubleBondOffset) |
void | makeQueryBond (Bond *bond, double doubleBondOffset) |
void | makeDoubleBondLines (Bond *bond, double doubleBondOffset, const std::pair< DrawColour, DrawColour > &cols) |
void | makeTripleBondLines (Bond *bond, double doubleBondOffset, const std::pair< DrawColour, DrawColour > &cols) |
void | makeWedgedBond (Bond *bond, const std::pair< DrawColour, DrawColour > &cols) |
void | makeWavyBond (Bond *bond, double offset, const std::pair< DrawColour, DrawColour > &cols) |
void | makeDativeBond (Bond *bond, double offset, const std::pair< DrawColour, DrawColour > &cols) |
void | makeZeroBond (Bond *bond, const std::pair< DrawColour, DrawColour > &cols, const DashPattern &dashPattern) |
void | adjustBondEndsForLabels (int begAtIdx, int endAtIdx, Point2D &begCds, Point2D &endCds) const |
void | newBondLine (const Point2D &pt1, const Point2D &pt2, const DrawColour &col1, const DrawColour &col2, int atom1Idx, int atom2Idx, int bondIdx, const DashPattern &dashPattern) |
std::pair< DrawColour, DrawColour > | getBondColours (Bond *bond) |
void | makeContinuousHighlights (double scale) |
void | makeAtomCircleHighlights () |
void | makeAtomEllipseHighlights (double lineWidth) |
void | makeBondHighlightLines (double lineWidth, double scale) |
void | calcAnnotationPosition (const Atom *atom, DrawAnnotation &annot) const |
void | calcAnnotationPosition (const Bond *bond, DrawAnnotation &annot) const |
double | getNoteStartAngle (const Atom *atom) const |
int | doesNoteClash (const DrawAnnotation &annot) const |
int | doesRectClash (const StringRect &rect, double padding) const |
OrientType | calcRadicalRect (const Atom *atom, StringRect &rad_rect) const |
void | getDrawTransformers (Point2D &trans, Point2D &scale, Point2D &toCentre) const |
Point2D | getDrawCoords (const Point2D &atCds, const Point2D &trans, const Point2D &scaleFactor, const Point2D &toCentre) const |
Point2D | getDrawCoords (const Point2D &atCds) const |
Point2D | getDrawCoords (int atnum) const |
Point2D | getAtomCoords (const Point2D &screenCds) const |
Point2D | getAtomCoords (int atnum) const |
double | getScale () const |
double | getFontScale () const |
void | setScale (double newScale, double newFontScale, bool ignoreFontLimits=true) |
void | setTransformation (const DrawMol &sourceMol) |
void | setOffsets (double xOffset, double yOffset) |
void | tagAtomsWithCoords () |
void | transformAll (const Point2D *trans=nullptr, Point2D *scale=nullptr, const Point2D *toCentre=nullptr) |
Point2D | transformPoint (const Point2D &pt, const Point2D *trans=nullptr, Point2D *scale=nullptr, const Point2D *toCentre=nullptr) const |
void | calcDoubleBondLines (double offset, const Bond &bond, Point2D &l1s, Point2D &l1f, Point2D &l2s, Point2D &l2f) const |
void | bondInsideRing (const Bond &bond, double offset, Point2D &l2s, Point2D &l2f) const |
void | bondNonRing (const Bond &bond, double offset, Point2D &l2s, Point2D &l2f) const |
void | doubleBondTerminal (Atom *at1, Atom *at2, double offset, Point2D &l1s, Point2D &l1f, Point2D &l2s, Point2D &l2f) const |
Point2D | doubleBondEnd (unsigned int at1, unsigned int at2, unsigned int at3, double offset, bool trunc) const |
void | calcTripleBondLines (double offset, const Bond &bond, Point2D &l1s, Point2D &l1f, Point2D &l2s, Point2D &l2f) |
void | findOtherBondVecs (const Atom *atom, const Atom *otherAtom, std::vector< Point2D > &otherBondVecs) const |
void | adjustBondsOnSolidWedgeEnds () |
void | smoothBondJoins () |
void | makeHighlightEnd (const Atom *end1, const Atom *end2, double lineWidth, const std::vector< Atom * > &end1HighNbrs, std::vector< Point2D > &points) |
DrawColour | getColour (int atom_idx) const |
Public Attributes | |
const MolDrawOptions & | drawOptions_ |
DrawText & | textDrawer_ |
std::vector< int > | highlightAtoms_ |
std::vector< int > | highlightBonds_ |
std::map< int, DrawColour > | highlightAtomMap_ |
std::map< int, DrawColour > | highlightBondMap_ |
std::vector< std::pair< DrawColour, DrawColour > > | bondColours_ |
std::map< int, double > | highlightRadii_ |
bool | includeAnnotations_ |
bool | isReactionMol_ |
std::string | legend_ |
std::unique_ptr< RWMol > | drawMol_ |
int | confId_ |
std::vector< Point2D > | atCds_ |
std::vector< std::unique_ptr< DrawShape > > | bonds_ |
std::vector< std::unique_ptr< DrawShape > > | preShapes_ |
std::vector< std::unique_ptr< DrawShape > > | postShapes_ |
std::vector< int > | atomicNums_ |
std::vector< std::pair< std::string, OrientType > > | atomSyms_ |
std::vector< std::unique_ptr< AtomSymbol > > | atomLabels_ |
std::vector< std::unique_ptr< DrawShape > > | highlights_ |
std::vector< std::unique_ptr< DrawAnnotation > > | annotations_ |
std::vector< std::unique_ptr< DrawAnnotation > > | legends_ |
std::vector< std::tuple< StringRect, OrientType, int > > | radicals_ |
std::vector< int > | singleBondLines_ |
int | width_ |
int | height_ |
double | scale_ |
double | fontScale_ |
double | xMin_ |
double | yMin_ |
double | xMax_ |
double | yMax_ |
double | xRange_ |
double | yRange_ |
double | xOffset_ = 0.0 |
double | yOffset_ = 0.0 |
double | meanBondLength_ = 0.0 |
int | drawHeight_ |
int | legendHeight_ = 0 |
bool | drawingInitialised_ = false |
int | activeAtmIdxOffset_ = 0 |
int | activeBndIdxOffset_ = 0 |
bool | flexiCanvasX_ = false |
bool | flexiCanvasY_ = false |
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virtualdefault |
RDKit::MolDraw2D_detail::DrawMol::DrawMol | ( | const ROMol & | mol, |
const std::string & | legend, | ||
int | width, | ||
int | height, | ||
const MolDrawOptions & | drawOptions, | ||
DrawText & | textDrawer, | ||
const std::vector< int > * | highlightAtoms = nullptr , |
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const std::vector< int > * | highlightBonds = nullptr , |
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const std::map< int, DrawColour > * | highlightAtomMap = nullptr , |
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const std::map< int, DrawColour > * | highlightBondMap = nullptr , |
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const std::vector< std::pair< DrawColour, DrawColour >> * | bondColours = nullptr , |
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const std::map< int, double > * | highlight_radii = nullptr , |
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bool | includeAnnotations = true , |
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int | confId = -1 , |
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bool | isReactionMol = false |
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) |
mol | : the molecule to draw |
legend | : the legend (to be drawn under the molecule) |
width | : width (in pixels) of the rendering set this to -1 to have the canvas size set automatically |
height | : height (in pixels) of the rendering set this to -1 to have the canvas size set automatically |
drawOptions | : a MolDrawOptions object from the owning MolDraw2D |
textDrawer | : a DrawText object from the owning MolDraw2D |
highlightAtoms | : (optional) vector of atom ids to highlight |
highlightBonds | : (optional) vector of bond ids to highlight |
highlightAtomMap | : (optional) map from atomId -> DrawColour providing the highlight colors. If not provided the default highlight colour from drawOptions() will be used. |
highlightBondMap | : (optional) map from bondId -> DrawColour providing the highlight colors. If not provided the default highlight colour from drawOptions() will be used. |
highlightRadii | : (optional) map from atomId -> radius (in molecule coordinates) for the radii of atomic highlights. If not provided the default value from drawOptions() will be used. |
confId | : (optional) conformer ID to be used for atomic coordinates |
RDKit::MolDraw2D_detail::DrawMol::DrawMol | ( | int | width, |
int | height, | ||
const MolDrawOptions & | drawOptions, | ||
DrawText & | textDrawer, | ||
double | xmin, | ||
double | xmax, | ||
double | ymin, | ||
double | ymax, | ||
double | scale, | ||
double | fontscale | ||
) |
Make a DrawMol when there's no molecule to draw, but we still want a DrawMol in the MolDraw2D for scale, conversion of atom coords to draw coords etc. And so DrawMol starts sounding like a poor name for the class.
width | : width (in pixels) of the rendering |
height | : height (in pixels) of the rendering |
drawOptions | : a MolDrawOptions object from the owning MolDraw2D |
textDrawer | : a DrawText object from the owning MolDraw2D |
xmin | : minimum value expected in X |
xmax | : miaximum value expected in X |
ymin | : minimum value expected in Y |
ymax | : maximum value expected in Y |
scale | : scale to use |
fontscale | : font scale to use |
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delete |
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delete |
void RDKit::MolDraw2D_detail::DrawMol::adjustBondEndsForLabels | ( | int | begAtIdx, |
int | endAtIdx, | ||
Point2D & | begCds, | ||
Point2D & | endCds | ||
) | const |
void RDKit::MolDraw2D_detail::DrawMol::adjustBondsOnSolidWedgeEnds | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::bondInsideRing | ( | const Bond & | bond, |
double | offset, | ||
Point2D & | l2s, | ||
Point2D & | l2f | ||
) | const |
void RDKit::MolDraw2D_detail::DrawMol::bondNonRing | ( | const Bond & | bond, |
double | offset, | ||
Point2D & | l2s, | ||
Point2D & | l2f | ||
) | const |
void RDKit::MolDraw2D_detail::DrawMol::calcAnnotationPosition | ( | const Atom * | atom, |
DrawAnnotation & | annot | ||
) | const |
void RDKit::MolDraw2D_detail::DrawMol::calcAnnotationPosition | ( | const Bond * | bond, |
DrawAnnotation & | annot | ||
) | const |
void RDKit::MolDraw2D_detail::DrawMol::calcDoubleBondLines | ( | double | offset, |
const Bond & | bond, | ||
Point2D & | l1s, | ||
Point2D & | l1f, | ||
Point2D & | l2s, | ||
Point2D & | l2f | ||
) | const |
void RDKit::MolDraw2D_detail::DrawMol::calcMeanBondLength | ( | ) |
OrientType RDKit::MolDraw2D_detail::DrawMol::calcRadicalRect | ( | const Atom * | atom, |
StringRect & | rad_rect | ||
) | const |
void RDKit::MolDraw2D_detail::DrawMol::calcTripleBondLines | ( | double | offset, |
const Bond & | bond, | ||
Point2D & | l1s, | ||
Point2D & | l1f, | ||
Point2D & | l2s, | ||
Point2D & | l2f | ||
) |
void RDKit::MolDraw2D_detail::DrawMol::calculateScale | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::changeToDrawCoords | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::createDrawObjects | ( | ) |
int RDKit::MolDraw2D_detail::DrawMol::doesNoteClash | ( | const DrawAnnotation & | annot | ) | const |
int RDKit::MolDraw2D_detail::DrawMol::doesRectClash | ( | const StringRect & | rect, |
double | padding | ||
) | const |
Point2D RDKit::MolDraw2D_detail::DrawMol::doubleBondEnd | ( | unsigned int | at1, |
unsigned int | at2, | ||
unsigned int | at3, | ||
double | offset, | ||
bool | trunc | ||
) | const |
void RDKit::MolDraw2D_detail::DrawMol::doubleBondTerminal | ( | Atom * | at1, |
Atom * | at2, | ||
double | offset, | ||
Point2D & | l1s, | ||
Point2D & | l1f, | ||
Point2D & | l2s, | ||
Point2D & | l2f | ||
) | const |
void RDKit::MolDraw2D_detail::DrawMol::draw | ( | MolDraw2D & | drawer | ) | const |
void RDKit::MolDraw2D_detail::DrawMol::drawRadicals | ( | MolDraw2D & | drawer | ) | const |
void RDKit::MolDraw2D_detail::DrawMol::extractAll | ( | double | scale | ) |
void RDKit::MolDraw2D_detail::DrawMol::extractAtomCoords | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::extractAtomNotes | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::extractAtomSymbols | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::extractAttachments | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::extractBondNotes | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::extractBonds | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::extractBrackets | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::extractCloseContacts | ( | ) |
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virtual |
Reimplemented in RDKit::MolDraw2D_detail::DrawMolMCH.
void RDKit::MolDraw2D_detail::DrawMol::extractLegend | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::extractLinkNodes | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::extractMolNotes | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::extractRadicals | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::extractRegions | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::extractSGroupData | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::extractVariableBonds | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::findExtremes | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::findOtherBondVecs | ( | const Atom * | atom, |
const Atom * | otherAtom, | ||
std::vector< Point2D > & | otherBondVecs | ||
) | const |
void RDKit::MolDraw2D_detail::DrawMol::finishCreateDrawObjects | ( | ) |
Point2D RDKit::MolDraw2D_detail::DrawMol::getAtomCoords | ( | int | atnum | ) | const |
OrientType RDKit::MolDraw2D_detail::DrawMol::getAtomOrientation | ( | const Atom & | atom | ) | const |
std::string RDKit::MolDraw2D_detail::DrawMol::getAtomSymbol | ( | const Atom & | atom, |
OrientType | orientation | ||
) | const |
std::pair<std::string, OrientType> RDKit::MolDraw2D_detail::DrawMol::getAtomSymbolAndOrientation | ( | const Atom & | atom | ) | const |
std::pair<DrawColour, DrawColour> RDKit::MolDraw2D_detail::DrawMol::getBondColours | ( | Bond * | bond | ) |
DrawColour RDKit::MolDraw2D_detail::DrawMol::getColour | ( | int | atom_idx | ) | const |
Point2D RDKit::MolDraw2D_detail::DrawMol::getDrawCoords | ( | const Point2D & | atCds, |
const Point2D & | trans, | ||
const Point2D & | scaleFactor, | ||
const Point2D & | toCentre | ||
) | const |
Point2D RDKit::MolDraw2D_detail::DrawMol::getDrawCoords | ( | int | atnum | ) | const |
void RDKit::MolDraw2D_detail::DrawMol::getDrawTransformers | ( | Point2D & | trans, |
Point2D & | scale, | ||
Point2D & | toCentre | ||
) | const |
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inline |
Definition at line 199 of file DrawMol.h.
References fontScale_.
double RDKit::MolDraw2D_detail::DrawMol::getNoteStartAngle | ( | const Atom * | atom | ) | const |
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inline |
void RDKit::MolDraw2D_detail::DrawMol::initDrawMolecule | ( | const ROMol & | mol | ) |
void RDKit::MolDraw2D_detail::DrawMol::makeAtomCircleHighlights | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::makeAtomEllipseHighlights | ( | double | lineWidth | ) |
void RDKit::MolDraw2D_detail::DrawMol::makeBondHighlightLines | ( | double | lineWidth, |
double | scale | ||
) |
void RDKit::MolDraw2D_detail::DrawMol::makeContinuousHighlights | ( | double | scale | ) |
void RDKit::MolDraw2D_detail::DrawMol::makeDativeBond | ( | Bond * | bond, |
double | offset, | ||
const std::pair< DrawColour, DrawColour > & | cols | ||
) |
void RDKit::MolDraw2D_detail::DrawMol::makeDoubleBondLines | ( | Bond * | bond, |
double | doubleBondOffset, | ||
const std::pair< DrawColour, DrawColour > & | cols | ||
) |
void RDKit::MolDraw2D_detail::DrawMol::makeHighlightEnd | ( | const Atom * | end1, |
const Atom * | end2, | ||
double | lineWidth, | ||
const std::vector< Atom * > & | end1HighNbrs, | ||
std::vector< Point2D > & | points | ||
) |
void RDKit::MolDraw2D_detail::DrawMol::makeQueryBond | ( | Bond * | bond, |
double | doubleBondOffset | ||
) |
void RDKit::MolDraw2D_detail::DrawMol::makeStandardBond | ( | Bond * | bond, |
double | doubleBondOffset | ||
) |
void RDKit::MolDraw2D_detail::DrawMol::makeTripleBondLines | ( | Bond * | bond, |
double | doubleBondOffset, | ||
const std::pair< DrawColour, DrawColour > & | cols | ||
) |
void RDKit::MolDraw2D_detail::DrawMol::makeWavyBond | ( | Bond * | bond, |
double | offset, | ||
const std::pair< DrawColour, DrawColour > & | cols | ||
) |
void RDKit::MolDraw2D_detail::DrawMol::makeWedgedBond | ( | Bond * | bond, |
const std::pair< DrawColour, DrawColour > & | cols | ||
) |
void RDKit::MolDraw2D_detail::DrawMol::makeZeroBond | ( | Bond * | bond, |
const std::pair< DrawColour, DrawColour > & | cols, | ||
const DashPattern & | dashPattern | ||
) |
void RDKit::MolDraw2D_detail::DrawMol::newBondLine | ( | const Point2D & | pt1, |
const Point2D & | pt2, | ||
const DrawColour & | col1, | ||
const DrawColour & | col2, | ||
int | atom1Idx, | ||
int | atom2Idx, | ||
int | bondIdx, | ||
const DashPattern & | dashPattern | ||
) |
void RDKit::MolDraw2D_detail::DrawMol::partitionForLegend | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::resetEverything | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::setOffsets | ( | double | xOffset, |
double | yOffset | ||
) |
void RDKit::MolDraw2D_detail::DrawMol::setScale | ( | double | newScale, |
double | newFontScale, | ||
bool | ignoreFontLimits = true |
||
) |
void RDKit::MolDraw2D_detail::DrawMol::setTransformation | ( | const DrawMol & | sourceMol | ) |
void RDKit::MolDraw2D_detail::DrawMol::shrinkToFit | ( | bool | withPadding = true | ) |
void RDKit::MolDraw2D_detail::DrawMol::smoothBondJoins | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::tagAtomsWithCoords | ( | ) |
void RDKit::MolDraw2D_detail::DrawMol::transformAll | ( | const Point2D * | trans = nullptr , |
Point2D * | scale = nullptr , |
||
const Point2D * | toCentre = nullptr |
||
) |
Point2D RDKit::MolDraw2D_detail::DrawMol::transformPoint | ( | const Point2D & | pt, |
const Point2D * | trans = nullptr , |
||
Point2D * | scale = nullptr , |
||
const Point2D * | toCentre = nullptr |
||
) | const |
int RDKit::MolDraw2D_detail::DrawMol::activeAtmIdxOffset_ = 0 |
int RDKit::MolDraw2D_detail::DrawMol::activeBndIdxOffset_ = 0 |
std::vector<std::unique_ptr<DrawAnnotation> > RDKit::MolDraw2D_detail::DrawMol::annotations_ |
std::vector<Point2D> RDKit::MolDraw2D_detail::DrawMol::atCds_ |
std::vector<int> RDKit::MolDraw2D_detail::DrawMol::atomicNums_ |
std::vector<std::unique_ptr<AtomSymbol> > RDKit::MolDraw2D_detail::DrawMol::atomLabels_ |
std::vector<std::pair<std::string, OrientType> > RDKit::MolDraw2D_detail::DrawMol::atomSyms_ |
std::vector<std::pair<DrawColour, DrawColour> > RDKit::MolDraw2D_detail::DrawMol::bondColours_ |
std::vector<std::unique_ptr<DrawShape> > RDKit::MolDraw2D_detail::DrawMol::bonds_ |
bool RDKit::MolDraw2D_detail::DrawMol::drawingInitialised_ = false |
std::unique_ptr<RWMol> RDKit::MolDraw2D_detail::DrawMol::drawMol_ |
const MolDrawOptions& RDKit::MolDraw2D_detail::DrawMol::drawOptions_ |
bool RDKit::MolDraw2D_detail::DrawMol::flexiCanvasX_ = false |
bool RDKit::MolDraw2D_detail::DrawMol::flexiCanvasY_ = false |
double RDKit::MolDraw2D_detail::DrawMol::fontScale_ |
Definition at line 287 of file DrawMol.h.
Referenced by getFontScale().
std::map<int, DrawColour> RDKit::MolDraw2D_detail::DrawMol::highlightAtomMap_ |
std::vector<int> RDKit::MolDraw2D_detail::DrawMol::highlightAtoms_ |
std::map<int, DrawColour> RDKit::MolDraw2D_detail::DrawMol::highlightBondMap_ |
std::vector<int> RDKit::MolDraw2D_detail::DrawMol::highlightBonds_ |
std::map<int, double> RDKit::MolDraw2D_detail::DrawMol::highlightRadii_ |
std::vector<std::unique_ptr<DrawShape> > RDKit::MolDraw2D_detail::DrawMol::highlights_ |
bool RDKit::MolDraw2D_detail::DrawMol::includeAnnotations_ |
std::vector<std::unique_ptr<DrawAnnotation> > RDKit::MolDraw2D_detail::DrawMol::legends_ |
double RDKit::MolDraw2D_detail::DrawMol::meanBondLength_ = 0.0 |
std::vector<std::unique_ptr<DrawShape> > RDKit::MolDraw2D_detail::DrawMol::postShapes_ |
std::vector<std::unique_ptr<DrawShape> > RDKit::MolDraw2D_detail::DrawMol::preShapes_ |
std::vector<std::tuple<StringRect, OrientType, int> > RDKit::MolDraw2D_detail::DrawMol::radicals_ |
double RDKit::MolDraw2D_detail::DrawMol::scale_ |
Definition at line 287 of file DrawMol.h.
Referenced by getScale().
std::vector<int> RDKit::MolDraw2D_detail::DrawMol::singleBondLines_ |