thegodone
commented
9 years ago here the python definition
_descList=[]
20 -def _setupDescriptors(namespace):
21 global _descList,descList
22 from rdkit.Chem import GraphDescriptors,MolSurf,Lipinski,Fragments,Crippen
23 from rdkit.Chem.EState import EState_VSA
24 mods = [GraphDescriptors,MolSurf,EStateVSA,Lipinski,Crippen,Fragments]
25
26 otherMods = [Chem]
27
28 for nm,thing in namespace.items():
29 if nm[0]!='' and _isCallable(thing):
30 descList.append((nm,thing))
31
32 others = []
33 for mod in otherMods:
34 tmp = dir(mod)
35 for name in tmp:
36 if name[0] != '':
37 thing = getattr(mod,name)
38 if isCallable(thing):
39 others.append(name)
40
41 for mod in mods:
42 tmp = dir(mod)
43
44 for name in tmp:
45 if name[0] != '' and name[-1] != '_' and name not in others:
46 # filter out python reference implementations:
47 if name[:2]=='py' and name[2:] in tmp:
48 continue
49 thing = getattr(mod,name)
50 if _isCallable(thing):
51 namespace[name]=thing
52 _descList.append((name,thing))
53 descList=_descList
54
gmrandazzo
how to do this python command ?