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5
6 from rdkit import Chem
7 from rdkit import Geometry
8
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48
50 viewer.server.sphere(tuple(skelPt.location),.5,color,cgoNm)
51 if hasattr(skelPt,'shapeDirs'):
52 momBeg = skelPt.location-skelPt.shapeDirs[0]
53 momEnd = skelPt.location+skelPt.shapeDirs[0]
54 viewer.server.cylinder(tuple(momBeg),tuple(momEnd),.1,color,cgoNm)
55
57 orderColors=((1,0,0),(0,1,0),(0,0,1),(1,1,0),(1,0,1),(0,1,1))
58 cgoNm='%s-skeleton'%name
59 viewer.server.resetCGO(cgoNm)
60 for i,pt in enumerate(shape.skelPts):
61 if colorByOrder:
62 color = orderColors[i%len(orderColors)]
63 _displaySubshapeSkelPt(viewer,pt,cgoNm,color)
64
66 from rdkit import Geometry
67 import os,tempfile
68 fName = tempfile.mktemp('.grd')
69 Geometry.WriteGridToFile(shape.grid,fName)
70 viewer.server.loadSurface(fName,name,'',2.5)
71 if showSkelPts:
72 DisplaySubshapeSkeleton(viewer,shape,name,color)
73
74
75 try:
76 os.unlink(fName)
77 except Exception:
78 import time
79 time.sleep(.5)
80 try:
81 os.unlink(fName)
82 except Exception:
83
84 pass
85