DrawMol.h File Reference

#include <map>
#include <string>
#include <vector>
#include <Geometry/point.h>
#include <GraphMol/MolDraw2D/AtomSymbol.h>
#include <GraphMol/MolDraw2D/DrawAnnotation.h>
#include <GraphMol/MolDraw2D/DrawShape.h>
#include <GraphMol/MolDraw2D/MolDraw2DHelpers.h>

Go to the source code of this file.

Classes
class	RDKit::MolDraw2D_detail::DrawMol

Namespaces
namespace	RDKit
	Std stuff.
namespace	RDKit::MolDraw2D_detail

Functions
void	RDKit::MolDraw2D_detail::centerMolForDrawing (RWMol &mol, int confId=1)
bool	RDKit::MolDraw2D_detail::isLinearAtom (const Atom &atom, const std::vector< Point2D > &atCds)
std::string	RDKit::MolDraw2D_detail::getAtomListText (const Atom &atom)
DrawColour	RDKit::MolDraw2D_detail::getColourByAtomicNum (int atomicNum, const MolDrawOptions &drawOptions)
DrawColour	RDKit::MolDraw2D_detail::getHighlightBondColour (const Bond *bond, const MolDrawOptions &drawOptions, const std::vector< int > &highlightBonds, const std::map< int, DrawColour > &highlightBondMap, const std::vector< int > &highlightAtoms, const std::map< int, DrawColour > &highlightAtomMap)
double	RDKit::MolDraw2D_detail::getHighlightBondWidth (const MolDrawOptions &drawOptions, int bond_idx, const std::map< int, int > *highlight_linewidth_multipliers)
Point2D	RDKit::MolDraw2D_detail::calcPerpendicular (const Point2D &cds1, const Point2D &cds2)
Point2D	RDKit::MolDraw2D_detail::calcInnerPerpendicular (const Point2D &cds1, const Point2D &cds2, const Point2D &cds3)
void	RDKit::MolDraw2D_detail::adjustBondEndForString (const Point2D &end2, double padding, const std::vector< std::shared_ptr< StringRect > > &rects, Point2D &moveEnd)
void	RDKit::MolDraw2D_detail::findRadicalExtremes (const std::vector< std::tuple< StringRect, OrientType, int > > &radicals, double &xmin, double &xmax, double &ymin, double &ymax)
void	RDKit::MolDraw2D_detail::findRectExtremes (const StringRect &rect, const TextAlignType &align, double &xmin, double &xmax, double &ymin, double &ymax)
void	RDKit::MolDraw2D_detail::getBondHighlightsForAtoms (const ROMol &mol, const std::vector< int > &highlight_atoms, std::vector< int > &highlight_bonds)
bool	RDKit::MolDraw2D_detail::areBondsTrans (const Point2D &at1, const Point2D &at2, const Point2D &at3, const Point2D &at4)
bool	RDKit::MolDraw2D_detail::areBondsParallel (const Point2D &at1, const Point2D &at2, const Point2D &at3, const Point2D &at4, double tol=1.0e-4)
const Atom *	RDKit::MolDraw2D_detail::otherNeighbor (const Atom *firstAtom, const Atom *secondAtom, int nborNum, const ROMol &mol)