RDKit: MolDraw2DSVG.h Source File

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MolDraw2DSVG.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 // derived from Dave Cosgrove's MolDraw2D
11 //
12 // This is a concrete class derived from MolDraw2D that uses RDKit to draw a
13 // molecule into an SVG file
14
15 #ifndef MOLDRAW2DSVG_H
16 #define MOLDRAW2DSVG_H
17
18 #include <iostream>
19 #include <sstream>
20 #include "MolDraw2D.h"
21
22 // ****************************************************************************
23
24 namespace RDKit {
25
26 class MolDraw2DSVG : public MolDraw2D {
27 public:
28 // initialize to use a particular ostream
29 MolDraw2DSVG(int width, int height, std::ostream &os)
30 : MolDraw2D(width, height), d_os(os) {
31 initDrawing();
32 };
33 // initialize to use the internal stringstream
34 MolDraw2DSVG(int width, int height) : MolDraw2D(width, height), d_os(d_ss) {
35 initDrawing();
36 };
37
38 // set font size in molecule coordinate units. That's probably Angstrom for
39 // RDKit. It will turned into drawing units using scale_, which might be
40 // changed as a result, to make sure things still appear in the window.
41 void setFontSize(double new_size);
42 void setColour(const DrawColour &col);
43
44 // not sure if this goes here or if we should do a dtor since initDrawing() is
45 // called in the ctor,
46 // but we'll start here
47 void finishDrawing();
48
49 void drawLine(const Point2D &cds1, const Point2D &cds2);
50 void drawString(const std::string &str, const Point2D &cds);
51 void drawPolygon(const std::vector<Point2D> &cds);
52 void drawEllipse(const Point2D &cds1, const Point2D &cds2);
53 void clearDrawing();
54
55 // using the current scale, work out the size of the label in molecule
56 // coordinates
57 void getStringSize(const std::string &label, double &label_width,
58 double &label_height) const;
59
60 // this only makes sense if the object was initialized without a stream
61 std::string getDrawingText() const { return d_ss.str(); };
62
63 void tagAtoms(const ROMol &mol);
64
65 private:
66 std::ostream &d_os;
67 std::stringstream d_ss;
68
69 void drawChar(char c, const Point2D &cds);
70 void initDrawing();
71 };
72 }
73 #endif // MOLDRAW2DSVG_H
RDKit::MolDraw2D::height
virtual int height() const
Definition: MolDraw2D.h:129
RDKit::MolDraw2DSVG::setColour
void setColour(const DrawColour &col)
RDKit::MolDraw2DSVG::getStringSize
void getStringSize(const std::string &label, double &label_width, double &label_height) const
RDGeom::Point2D
Definition: point.h:254
RDKit::MolDraw2DSVG::tagAtoms
void tagAtoms(const ROMol &mol)
MolDraw2D.h
RDKit::ROMol
ROMol is a molecule class that is intended to have a fixed topology.
Definition: ROMol.h:102
RDKit::MolDraw2DSVG::drawLine
void drawLine(const Point2D &cds1, const Point2D &cds2)
RDKit::MolDraw2DSVG::drawString
void drawString(const std::string &str, const Point2D &cds)
RDKit::MolDraw2DSVG::finishDrawing
void finishDrawing()
RDKit::MolDraw2DSVG::drawPolygon
void drawPolygon(const std::vector< Point2D > &cds)
RDKit::MolDraw2DSVG::getDrawingText
std::string getDrawingText() const
Definition: MolDraw2DSVG.h:61
RDKit::MolDraw2DSVG::MolDraw2DSVG
MolDraw2DSVG(int width, int height, std::ostream &os)
Definition: MolDraw2DSVG.h:29
RDKit::MolDraw2DSVG::drawEllipse
void drawEllipse(const Point2D &cds1, const Point2D &cds2)
RDKit::MolDraw2DSVG::setFontSize
void setFontSize(double new_size)
RDKit::MolDraw2DSVG
Definition: MolDraw2DSVG.h:26
RDKit::MolDraw2DSVG::clearDrawing
void clearDrawing()
RDKit
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:28
RDKit::MolDraw2D::width
virtual int width() const
Definition: MolDraw2D.h:128
RDKit::MolDraw2DSVG::MolDraw2DSVG
MolDraw2DSVG(int width, int height)
Definition: MolDraw2DSVG.h:34
RDKit::MolDraw2D
Definition: MolDraw2D.h:76
RDKit::DrawColour
boost::tuple< float, float, float > DrawColour
Definition: MolDraw2D.h:37