1
2
3
4
5
6 from rdkit import Chem
7 from rdkit import six
8 from rdkit.VLib.Supply import SupplyNode
9
10
12 """ SD supplier
13
14 Sample Usage:
15 >>> import os
16 >>> from rdkit import RDConfig
17 >>> fileN = os.path.join(RDConfig.RDCodeDir,'VLib','NodeLib',\
18 'test_data','NCI_aids.10.sdf')
19 >>> suppl = SDSupplyNode(fileN)
20 >>> ms = [x for x in suppl]
21 >>> len(ms)
22 10
23 >>> ms[0].GetProp("_Name")
24 '48'
25 >>> ms[1].GetProp("_Name")
26 '78'
27 >>> suppl.reset()
28 >>> suppl.next().GetProp("_Name")
29 '48'
30 >>> suppl.next().GetProp("_Name")
31 '78'
32
33 """
34
36 SupplyNode.__init__(self, **kwargs)
37 self._fileName = fileName
38 self._supplier = Chem.SDMolSupplier(self._fileName)
39
43
45 """
46
47 """
48 return next(self._supplier)
49
50
51 if six.PY3:
52 SDSupplyNode.__next__ = SDSupplyNode.next
53
54
55
56
57
58
60 import sys
61 import doctest
62 failed, _ = doctest.testmod(optionflags=doctest.ELLIPSIS, verbose=verbose)
63 sys.exit(failed)
64
65
66 if __name__ == '__main__':
67 _runDoctests()
68