10#ifndef DRAWMOLMCHLASSO_H
11#define DRAWMOLMCHLASSO_H
16namespace MolDraw2D_detail {
64 const ROMol &mol,
const std::string &
legend,
int width,
int height,
87 std::vector<std::unique_ptr<DrawShapeSimpleLine>> &
lines,
88 std::vector<std::vector<LinePair>> &
atomLines)
const;
90 std::vector<std::unique_ptr<DrawShapeArc>> &
arcs)
const;
94 const std::vector<std::unique_ptr<DrawShapeSimpleLine>> &
lines,
95 std::vector<std::unique_ptr<DrawShapeArc>> &
arcs)
const;
99 std::vector<std::unique_ptr<DrawShapeArc>> &
currArcs,
100 std::vector<DrawShapeArc *> &
arcs)
const;
void extractMCHighlights() override
DrawMolMCHLasso & operator=(DrawMol &&)=delete
void orderAtomLines(std::vector< std::vector< LinePair > > &atomLines) const
void addNoLineArcs(const std::vector< int > &colAtoms, size_t lassoNum, const RDKit::DrawColour &col, const std::vector< std::unique_ptr< DrawShapeSimpleLine > > &lines, std::vector< std::unique_ptr< DrawShapeArc > > &arcs) const
void makeIntersectingArcs(const std::vector< std::vector< unsigned int > > &intersects, int lassoNum, const RDKit::DrawColour &col, std::vector< std::unique_ptr< DrawShapeArc > > &currArcs, std::vector< DrawShapeArc * > &arcs) const
DrawMolMCHLasso(const ROMol &mol, const std::string &legend, int width, int height, MolDrawOptions &drawOptions, DrawText &textDrawer, const std::map< int, std::vector< DrawColour > > &highlight_atom_map, const std::map< int, std::vector< DrawColour > > &highlight_bond_map, const std::map< int, double > &highlight_radii, const std::map< int, int > &highlight_linewidth_multipliers, int confId=-1)
DrawMolMCHLasso(const DrawMol &)=delete
DrawMolMCHLasso & operator=(const DrawMol &)=delete
DrawMolMCHLasso(DrawMol &&)=delete
void drawLasso(size_t lassoNum, const DrawColour &col, const std::vector< int > &colAtoms)
void extractAtomColourLists(std::vector< DrawColour > &colours, std::vector< std::vector< int > > &colourAtoms, std::vector< std::vector< int > > &colourLists) const
void extractAtomArcs(std::vector< std::vector< LinePair > > &atomLines, std::vector< std::unique_ptr< DrawShapeArc > > &arcs) const
void extractBondLines(size_t lassoNum, const DrawColour &col, const std::vector< int > &colAtoms, std::vector< std::unique_ptr< DrawShapeSimpleLine > > &lines, std::vector< std::vector< LinePair > > &atomLines) const
void extractHighlights(double scale) override
bool rdvalue_is(const RDValue_cast_t)
DrawShapeSimpleLine * line1
DrawShapeSimpleLine * line2