Hello again Adam!
You're right. With the latest SWIG and on Windows, I get a slightly
more helpful error message:
Traceback (most recent call last):
File "<stdin>", line 1, in ?
File "C:\Python24\Lib\site-packages\openbabel.py", line 1959, in Rotate
def Rotate(*args): return _openbabel.OBMol_Rotate(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'OBMol_Ro
tate'.
Possible C/C++ prototypes are:
Rotate(double const [3][3])
Rotate(double const [9])
Rotate(double const [9],int)
Overloaded functions are not the problem. The problem is that there is
no easy way to pass a C array as a parameter. I think the answer can
be found in:
http://www.swig.org/Doc1.3/Python.html#Python_nn41
In short, either mol.cpp or openbabel-python.i needs to be edited to
be some new functionality.
Noel
On 27/11/06, Adam Tenderholt <a-t...@st...> wrote:
> Anyone have pointers on how to use the OBMol.Rotate() function from
> Python? I tried passing a list of 9 doubles, but got the error
> "NotImplementedError: No matching function for overloaded
> 'OBMol_Rotate' ". Any help would be appreciated.
>
> Adam
>
>
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