1
2
3
4
5
6 import sys,os.path
7 from rdkit import six
8 from rdkit import RDConfig
9 from rdkit.VLib.Supply import SupplyNode
10 from rdkit import Chem
11
13 """ SD supplier
14
15 Sample Usage:
16 >>> fileN = os.path.join(RDConfig.RDCodeDir,'VLib','NodeLib',\
17 'test_data','NCI_aids.10.sdf')
18 >>> suppl = SDSupplyNode(fileN)
19 >>> ms = [x for x in suppl]
20 >>> len(ms)
21 10
22 >>> ms[0].GetProp("_Name")
23 '48'
24 >>> ms[1].GetProp("_Name")
25 '78'
26 >>> suppl.reset()
27 >>> suppl.next().GetProp("_Name")
28 '48'
29 >>> suppl.next().GetProp("_Name")
30 '78'
31
32
33 """
35 SupplyNode.__init__(self,**kwargs)
36 self._fileName = fileName
37 self._supplier = Chem.SDMolSupplier(self._fileName)
38
43 """
44
45 """
46 return next(self._supplier)
47
48 if six.PY3:
49 SDSupplyNode.__next__ = SDSupplyNode.next
50
51
52
53
54
55
57 import doctest,sys
58 return doctest.testmod(sys.modules["__main__"])
59
60
61 if __name__ == '__main__':
62 import sys
63 failed,tried = _test()
64 sys.exit(failed)
65