RDKit
Open-source cheminformatics and machine learning.
MolDraw2DDetails.h
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1 //
2 // Copyright (C) 2015 Greg Landrum
3 //
4 // @@ All Rights Reserved @@
5 // This file is part of the RDKit.
6 // The contents are covered by the terms of the BSD license
7 // which is included in the file license.txt, found at the root
8 // of the RDKit source tree.
9 //
10 
11 
12 #ifndef RDKITMOLDRAW2DDETAILS_H
13 #define RDKITMOLDRAW2DDETAILS_H
14 
15 #include <vector>
16 
17 #include <Geometry/point.h>
18 #include <GraphMol/RDKitBase.h>
19 
20 #include <boost/tuple/tuple.hpp>
21 
22 // ****************************************************************************
23 using RDGeom::Point2D;
24 
25 namespace RDKit {
26  namespace MolDraw2D_detail {
27  // data taken from the helvetica font info in $RDBASE/rdkit/sping/PDF/pdfmetrics.py
28  static int char_widths[]={0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,278,278,355,556,556,889,667,222,333,333,389,584,278,333,278,278,556,556,556,556,556,556,556,556,556,556,278,278,584,584,584,556,1015,667,667,722,722,667,611,778,722,278,500,667,556,833,722,778,667,778,722,667,611,722,667,944,667,667,611,278,278,278,469,556,222,556,556,500,556,556,278,556,556,222,222,500,222,833,556,556,556,556,333,500,278,556,500,722,500,500,500,334,260,334,584,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,333,556,556,167,556,556,556,556,191,333,556,333,333,500,500,0,556,556,556,278,0,537,350,222,333,333,556,1000,1000,0,611,0,333,333,333,333,333,333,333,333,0,333,333,0,333,333,333,1000,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1000,0,370,0,0,0,0,556,778,1000,365,0,0,0,0,0,889,0,0,0,278,0,0,222,611,944,611,0,0,834};
29 
30  void arcPoints(const Point2D &cds1,const Point2D &cds2,
31  std::vector< Point2D > &res,
32  float startAng=0,float extent=360);
33 
34  }
35 }
36 
37 #endif
void arcPoints(const Point2D &cds1, const Point2D &cds2, std::vector< Point2D > &res, float startAng=0, float extent=360)
pulls in the core RDKit functionality
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:28