RDKit
Open-source cheminformatics and machine learning.
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MolDraw2DJS.h
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1//
2// Copyright (C) 2020 Greg Landrum and T5 informatics GmbH
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 using
13// the JS canvas. This requires emscripten and is only intended for the RDKit
14// Javascript builds
15
16#include <RDGeneral/export.h>
17#ifndef MOLDRAW2DJS_H
18#define MOLDRAW2DJS_H
19
20#include <iostream>
21#include <sstream>
22#include <emscripten.h>
23#include <emscripten/val.h>
24
26
27// ****************************************************************************
28
29namespace RDKit {
30
32 public:
33 // initialize to use a particular ostream
34 MolDraw2DJS(int width, int height, emscripten::val &context,
35 int panelWidth = -1, int panelHeight = -1,
36 bool noFreetype = false)
37 : MolDraw2D(width, height, panelWidth, panelHeight), d_context(context) {
38 PRECONDITION(width > 0, "bad width");
39 PRECONDITION(height > 0, "bad height");
40 initDrawing();
41 needs_init_ = false;
42 initTextDrawer(noFreetype);
43 }
44 MolDraw2DJS(const MolDraw2DJS &) = delete;
46 MolDraw2DJS &operator=(const MolDraw2DJS &) = delete;
48
49 void drawLine(const Point2D &cds1, const Point2D &cds2,
50 bool rawCoords = false) override;
51 void drawPolygon(const std::vector<Point2D> &cds,
52 bool rawCoords = false) override;
53 void drawEllipse(const Point2D &cds1, const Point2D &cds2,
54 bool rawCoords = false) override;
55 void clearDrawing() override;
56 void drawWavyLine(const Point2D &cds1, const Point2D &cds2,
57 const DrawColour &col1, const DrawColour &col2,
58 unsigned int nSegments = 16, double vertOffset = 0.05,
59 bool rawCoords = false) override;
60
61 private:
62 emscripten::val &d_context;
63 void initDrawing() override;
64 void initTextDrawer(bool noFreetype) override;
65};
66
67} // namespace RDKit
68#endif // MOLDRAW2DSVG_H
#define PRECONDITION(expr, mess)
Definition Invariant.h:109
void drawPolygon(const std::vector< Point2D > &cds, bool rawCoords=false) override
void drawWavyLine(const Point2D &cds1, const Point2D &cds2, const DrawColour &col1, const DrawColour &col2, unsigned int nSegments=16, double vertOffset=0.05, bool rawCoords=false) override
draw a wavy line like that used to indicate unknown stereochemistry
MolDraw2DJS(int width, int height, emscripten::val &context, int panelWidth=-1, int panelHeight=-1, bool noFreetype=false)
Definition MolDraw2DJS.h:34
void drawEllipse(const Point2D &cds1, const Point2D &cds2, bool rawCoords=false) override
draw an ellipse
void drawLine(const Point2D &cds1, const Point2D &cds2, bool rawCoords=false) override
MolDraw2DJS(const MolDraw2DJS &)=delete
MolDraw2DJS & operator=(const MolDraw2DJS &)=delete
MolDraw2DJS & operator=(MolDraw2DJS &&)=delete
MolDraw2DJS(MolDraw2DJS &&)=delete
void clearDrawing() override
clears the contents of the drawing
MolDraw2D is the base class for doing 2D renderings of molecules.
Definition MolDraw2D.h:47
#define RDKIT_MOLDRAW2D_EXPORT
Definition export.h:297
Std stuff.