yo folks,
Just as I moved everything to use the shiny new ForwardSDMolSupplier.
I get this error:
<...snip...>
mol_id = suppl.GetItemText(i).split("\n")[0]
AttributeError: 'ForwardSDMolSupplier' object has no attribute 'GetItemText'
May I point out that this is a really useful method, in fact it is the
only way to report any sort of failure on a particular molecule.
I understand that it is not possible to have this method in the
ForwardSDMolSupplier (because of the index - and this class does not
support random access)
But even so, I am accessing that index, i, in a sequential manner - 0,1,2,3,4..
I think a GetItemText() (without the index) - just getting the text of
the molecule we are on is a needed and useful API addition to this
class.
Thoughts?
-
Jean-Paul Ebejer
Early Stage Researcher
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