Hi Noel,
Your answers solved my problem. Thank you!
Xianghai
On Fri, Jan 26, 2018 at 7:42 AM, Noel O'Boyle wrote:
> Hi there,
>
> Regarding 1, yes, but have you instead considered using a Python
> dictionary or list to store the information? If I were you, I would avoid
> crossing over to C++
Hi there,
Regarding 1, yes, but have you instead considered using a Python dictionary
or list to store the information? If I were you, I would avoid crossing
over to C++ to store this information.
Regarding 2, see
https://openbabel.org/docs/dev/UseTheLibrary/PythonDoc.html#accessing-obpairdata-ob
Dear developers,
I was wondering what is the proper way to use OBPairData in python. For
example, I want to store an OBPairData with attribute 'nLonePair' in an
OBAtom. I managed to do this with the following code but don't know if it
is the best way.
d = ob.OBPairData()
d
