Hi all,
I think that at some point between v 2.2.3 and the current svn trunk, the
result of OBAtom.GetAtomicNum() in Python changed from type 'int' to 'long'. Is
this an intentional change to the API that I missed, or an unintentional
consequence of some change to how the bindings are built? If the former, it's
easy enough for me to update my python scripts to expect 'long', but I thought
I'd mention it in case the latter is the case.
Thanks,
Richard
Example from IPython:
In [1]: import pybel
In [2]: pybel
Out[2]: <module 'pybel' from '/usr/local/lib/python2.7/site-packages/pybel.py'>
In [3]: m=pybel.readstring("smi","CC")
In [4]: m.atoms[1].OBAtom.GetAtomicNum()
Out[4]: 6L
In [5]: type(_)
Out[5]: long
Using 2.2.3 you would have got
Out[4]: 6
Out[5]: int
--
Richard H. West, Ph.D. [email protected]
Assistant Professor, Chemical Engineering Department,
Northeastern University, 360 Huntington Ave, Boston, MA 02115
http://neu.edu/comocheng Phone: 617-373-5163
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