RDKit
Open-source cheminformatics and machine learning.
Loading...
Searching...
No Matches
MolDraw2DDetails.h File Reference
#include <RDGeneral/export.h>
#include <vector>
#include <Geometry/point.h>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/MolDraw2D/MolDraw2D.h>
#include <tuple>
#include <boost/format.hpp>

Go to the source code of this file.

Namespaces

namespace  RDKit
 Std stuff.
 
namespace  RDKit::MolDraw2D_detail
 

Functions

RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2D_detail::arcPoints (const Point2D &cds1, const Point2D &cds2, std::vector< Point2D > &res, float startAng=0, float extent=360)
 
RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2D_detail::addAtomIndices (const ROMol &mol)
 add annotations with atom indices.
 
RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2D_detail::addBondIndices (const ROMol &mol)
 add annotations with bond indices.
 
RDKIT_MOLDRAW2D_EXPORT std::vector< Point2DRDKit::MolDraw2D_detail::getBracketPoints (const Point2D &p1, const Point2D &p2, const Point2D &refPt, const std::vector< std::pair< Point2D, Point2D > > &bondSegments, double bracketFrac=0.1)
 
RDKIT_MOLDRAW2D_EXPORT std::vector< Point2DRDKit::MolDraw2D_detail::handdrawnLine (Point2D cds1, Point2D cds2, double scale, bool shiftBegin=false, bool shiftEnd=false, unsigned nSteps=4, double deviation=0.03, double endShift=0.5)
 
std::string RDKit::MolDraw2D_detail::formatDouble (double val)
 
RDKIT_MOLDRAW2D_EXPORT bool RDKit::MolDraw2D_detail::doesLineIntersect (const StringRect &rect, const Point2D &end1, const Point2D &end2, double padding)
 
RDKIT_MOLDRAW2D_EXPORT bool RDKit::MolDraw2D_detail::doesTriangleIntersect (const StringRect &rect, const Point2D &pt1, const Point2D &pt2, const Point2D &pt3, double padding)
 
RDKIT_MOLDRAW2D_EXPORT bool RDKit::MolDraw2D_detail::doesLineIntersectEllipse (const Point2D &centre, double xradius, double yradius, double padding, const Point2D &end1, const Point2D &end2)
 
RDKIT_MOLDRAW2D_EXPORT bool RDKit::MolDraw2D_detail::doesLineIntersectArc (const Point2D &centre, double xradius, double yradius, double start_ang, double stop_ang, double padding, const Point2D &end1, const Point2D &end2)
 
RDKIT_MOLDRAW2D_EXPORT bool RDKit::MolDraw2D_detail::doLinesIntersect (const Point2D &l1s, const Point2D &l1f, const Point2D &l2s, const Point2D &l2f, Point2D *ip)
 
RDKIT_MOLDRAW2D_EXPORT bool RDKit::MolDraw2D_detail::isPointInTriangle (const Point2D &pt, const Point2D &t1, const Point2D &t2, const Point2D &t3)
 
RDKIT_MOLDRAW2D_EXPORT std::vector< std::tuple< Point2D, Point2D, Point2D, Point2D > > RDKit::MolDraw2D_detail::getWavyLineSegments (const Point2D &p1, const Point2D &p2, unsigned int nSegments, double vertOffset)
 
RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2D_detail::calcArrowHead (Point2D &arrowEnd, Point2D &arrow1, Point2D &arrow2, const Point2D &arrowBegin, bool asPolygon, double frac, double angle)
 
RDKIT_MOLDRAW2D_EXPORT void RDKit::MolDraw2D_detail::adjustLineEndForEllipse (const Point2D &centre, double xradius, double yradius, Point2D p1, Point2D &p2)
 

Variables

const int RDKit::MolDraw2D_detail::char_widths []