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10 from matplotlib.lines import Line2D
11 from matplotlib.patches import Polygon
12 from matplotlib.pyplot import figure
13
14 from rdkit.Chem.Draw.canvasbase import CanvasBase
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16
18
19 - def __init__(self, size, name='', imageType='png'):
20 self._name = name
21 self.size = size
22 dpi = max(size[0], size[1])
23 figsize = (int(float(size[0]) / dpi), int(float(size[1]) / dpi))
24 self._figure = figure(figsize=figsize)
25 self._axes = self._figure.add_axes([0, 0, 2.5, 2.5])
26 self._axes.set_xticklabels('')
27 self._axes.set_yticklabels('')
28 self._dpi = dpi
29
31 return [float(p1[0]) / self._dpi, float(self.size[1] - p1[1]) / self._dpi]
32
33 - def addCanvasLine(self, p1, p2, color=(0, 0, 0), color2=None, **kwargs):
34 canvas = self._axes
35 p1 = self.rescalePt(p1)
36 p2 = self.rescalePt(p2)
37 if color2 and color2 != color:
38 mp = (p1[0] + p2[0]) / 2., (p1[1] + p2[1]) / 2.
39 canvas.add_line(Line2D((p1[0], mp[0]), (p1[1], mp[1]), color=color, **kwargs))
40 canvas.add_line(Line2D((mp[0], p2[0]), (mp[1], p2[1]), color=color2, **kwargs))
41 else:
42 canvas.add_line(Line2D((p1[0], p2[0]), (p1[1], p2[1]), color=color, **kwargs))
43
44 - def addCanvasText(self, text, pos, font, color=(0, 0, 0), **kwargs):
45 import re
46 pos = self.rescalePt(pos)
47 canvas = self._axes
48 text = re.sub(r'<.*?>', '', text)
49 orientation = kwargs.get('orientation', 'E')
50 halign = 'center'
51 valign = 'center'
52 if orientation == 'E':
53 halign = 'left'
54 elif orientation == 'W':
55 halign = 'right'
56 elif orientation == 'S':
57 valign = 'top'
58 elif orientation == 'N':
59 valign = 'bottom'
60
61 annot = canvas.annotate(text, (pos[0], pos[1]), color=color, verticalalignment=valign,
62 horizontalalignment=halign, weight=font.weight, size=font.size * 2.0,
63 family=font.face)
64
65 try:
66 bb = annot.get_window_extent(renderer=self._figure.canvas.get_renderer())
67 w, h = bb.width, bb.height
68 tw, th = canvas.transData.inverted().transform((w, h))
69 except AttributeError:
70 tw, th = 0.1, 0.1
71 return (tw, th, 0)
72
74 canvas = self._axes
75 ps = [self.rescalePt(x) for x in ps]
76 canvas.add_patch(Polygon(ps, linewidth=0, facecolor=color))
77
78 - def addCanvasDashedWedge(self, p1, p2, p3, dash=(2, 2), color=(0, 0, 0), color2=None, **kwargs):
79 canvas = self._axes
80 dash = (3, 3)
81 pts1 = self._getLinePoints(p1, p2, dash)
82 pts2 = self._getLinePoints(p1, p3, dash)
83 pts1 = [self.rescalePt(p) for p in pts1]
84 pts2 = [self.rescalePt(p) for p in pts2]
85 if len(pts2) < len(pts1):
86 pts2, pts1 = pts1, pts2
87 for i in range(len(pts1)):
88 if color2 and color2 != color:
89 mp = (pts1[i][0] + pts2[i][0]) / 2., (pts1[i][1] + pts2[i][1]) / 2.
90 canvas.add_line(Line2D((pts1[i][0], mp[0]), (pts1[i][1], mp[1]), color=color, **kwargs))
91 canvas.add_line(Line2D((mp[0], pts2[i][0]), (mp[1], pts2[i][1]), color=color2, **kwargs))
92 else:
93 canvas.add_line(
94 Line2D((pts1[i][0], pts2[i][0]), (pts1[i][1], pts2[i][1]), color=color, **kwargs))
95