10#ifndef DRAWMOLMCHLASSO_H
11#define DRAWMOLMCHLASSO_H
16namespace MolDraw2D_detail {
49 const ROMol &mol,
const std::string &
legend,
int width,
int height,
72 std::vector<std::unique_ptr<DrawShapeArc>> &
arcs)
const;
75 std::vector<std::unique_ptr<DrawShapeSimpleLine>> &
lines)
const;
77 std::vector<std::unique_ptr<DrawShapeArc>> &
arcs,
78 std::vector<std::unique_ptr<DrawShapeSimpleLine>> &
lines)
const;
80 const std::vector<std::unique_ptr<DrawShapeArc>> &
arcs,
81 std::vector<std::unique_ptr<DrawShapeSimpleLine>> &
lines)
const;
83 std::vector<std::unique_ptr<DrawShapeArc>> &
arcs,
84 std::vector<std::unique_ptr<DrawShapeSimpleLine>> &
lines)
const;
86 std::vector<std::unique_ptr<DrawShapeSimpleLine>> &
lines)
const;
90 std::vector<std::unique_ptr<DrawShapeSimpleLine>> &
lines);
void extractMCHighlights() override
DrawMolMCHLasso & operator=(DrawMol &&)=delete
void fixIntersectingArcsAndLines(std::vector< std::unique_ptr< DrawShapeArc > > &arcs, std::vector< std::unique_ptr< DrawShapeSimpleLine > > &lines) const
void fixIntersectingLines(const std::vector< std::unique_ptr< DrawShapeArc > > &arcs, std::vector< std::unique_ptr< DrawShapeSimpleLine > > &lines) 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
void fixProtrudingLines(std::vector< std::unique_ptr< DrawShapeSimpleLine > > &lines) const
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 fixArcsAndLines(std::vector< std::unique_ptr< DrawShapeArc > > &arcs, std::vector< std::unique_ptr< DrawShapeSimpleLine > > &lines) const
void extractAtomArcs(size_t lassoNum, const DrawColour &col, const std::vector< int > &colAtoms, std::vector< std::unique_ptr< DrawShapeArc > > &arcs) const
void extractHighlights(double scale) override
void extractBondLines(size_t lassoNum, const DrawColour &col, const std::vector< int > &colAtoms, std::vector< std::unique_ptr< DrawShapeSimpleLine > > &lines) const
void fixOrphanLines(std::vector< std::unique_ptr< DrawShapeArc > > &arcs, std::vector< std::unique_ptr< DrawShapeSimpleLine > > &lines)
bool rdvalue_is(const RDValue_cast_t)