1
2
3
4
5
6 import sys,os.path
7 from rdkit import RDConfig
8 from rdkit.VLib.Supply import SupplyNode
9 from rdkit import Chem
10
12 """ SD supplier
13
14 Sample Usage:
15 >>> fileN = os.path.join(RDConfig.RDCodeDir,'VLib','NodeLib',\
16 'test_data','NCI_aids.10.sdf')
17 >>> suppl = SDSupplyNode(fileN)
18 >>> ms = [x for x in suppl]
19 >>> len(ms)
20 10
21 >>> ms[0].GetProp("_Name")
22 '48'
23 >>> ms[1].GetProp("_Name")
24 '78'
25 >>> suppl.reset()
26 >>> suppl.next().GetProp("_Name")
27 '48'
28 >>> suppl.next().GetProp("_Name")
29 '78'
30
31
32 """
34 SupplyNode.__init__(self,**kwargs)
35 self._fileName = fileName
36 self._supplier = Chem.SDMolSupplier(self._fileName)
37
42 """
43
44 """
45 return self._supplier.next()
46
47
48
49
50
51
53 import doctest,sys
54 return doctest.testmod(sys.modules["__main__"])
55
56
57 if __name__ == '__main__':
58 import sys
59 failed,tried = _test()
60 sys.exit(failed)
61