Dear All,
I was a little suprised by this behaviour when making a copy of a molecule.
Is it the expected behaviour?
It isn't a problem for me as I can copy the properties across seperately,
but I thought it could be worth mentioning.
Dave
IPython 1.2.1 -- An enhanced Interactive Python.
? -> Introduction and overview of IPython's features.
%quickref -> Quick reference.
help -> Python's own help system.
object? -> Details about 'object', use 'object??' for extra details.
In [1]: from rdkit import Chem
In [2]: import copy
In [3]: mol = Chem.MolFromSmiles("c1ccccc1")
In [4]: mol.SetProp("_Name", "One")
In [5]: mol.SetProp("Prop", "1")
In [6]: mol2 = copy.deepcopy(mol)
In [7]: print mol2.GetProp("_Name")
---------------------------------------------------------------------------
KeyError Traceback (most recent call last)
<ipython-input-7-9ad92b63b870> in <module>()
----> 1 print mol2.GetProp("_Name")
KeyError: '_Name'
In [8]: print mol2.GetProp("Prop")
---------------------------------------------------------------------------
KeyError Traceback (most recent call last)
<ipython-input-8-668c3857671a> in <module>()
----> 1 print mol2.GetProp("Prop")
KeyError: 'Prop'
------------------------------------------------------------------------------
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