On 9/23/2020 1:55 PM, Michal Krompiec wrote:
Uhm, you’re right.
This is not unique to python, python just adds the name-binding twists
to the confusion. E.g. C++ methods aren't any different: they exist on
code pages regardless of whether their classes have been instantiated or
not, and are
Uhm, you’re right.
On Wed, Sep 23, 2020 at 7:46 PM Rocco Moretti wrote:
> Python translates object.method() to method(object).
>
>
> Well, yes and no. "Yes" in the sense that instance methods are internally
> implemented equivalently to a free method which takes an instance as the
> first
>
> Python translates object.method() to method(object).
Well, yes and no. "Yes" in the sense that instance methods are internally
implemented equivalently to a free method which takes an instance as the
first parameter. "No" in the sense that from a namespace and user
perspective there
Hi Rocco & Norwid,
Actually, this is expected given the fact that Python translates
object.method() to method(object). Hence, m.Compute2DCoords(), although
"incorrect" (because Compute2DCoords() is not a method of the Mol class),
is valid Python code and is understood as Compute2DCoords(m). And
Hi Norwid,
There's a subtle but significant difference between the two examples:
>>> AllChem.Compute2DCoords(m)
versus
>>> m.Compute2DCoords()
For the former, it's pretty standard Python behavior not to be able to see
a function from a module if you haven't loaded the module yet. That's
Hi Thomas,
could your report be already backed by the section titled «Working with
2D molecules: Generating Depictions» of the upper half of page
https://www.rdkit.org/docs/GettingStartedInPython.htm
about the 2020.03.1 documentation with the following example?
8>< begin snippet ---
Dear readers,
just wasted an amazing amount of time and reporting this in case someone else
happens to run into this problem.
if you simply do:
from rdkit import Chem
m = Chem.MolFromSmiles('c1c1')
m.Compute2DCoords()
you will get an error
Mol object has no attribute Compute2DCoords.
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