You forgot to cast it:
dp = toVectorData(mol.GetData('Dipole Moment'))
result = dp.GetData() # vector3 object
print result.GetX(), result.GetY(), result.GetZ()
- Noel
On 15 July 2011 12:28, kzfm ohkw <kerol...@gmail.com> wrote:
> Hi,
>
> I'm writing a gamess wrapper for python using openbabel, and
> I have a problem for getting a Dipole Moment.
>
> code snipet is bellow, my gamess output is
> http://www.kzfmix.com/pub/dimethylamine.out
>
> and my openbabel version is 2.3 (Mac OS 10.5, python2.7.1)
>
> ------------------------------------------------
> import openbabel as ob
> obc = ob.OBConversion()
> obc.SetInFormat("gamout")
>
> mol = ob.OBMol()
> obc.ReadFile(mol, "dimethylamine.out")
>
> dp = mol.GetData('Dipole Moment')
>
> print dp.GetAttribute(), dp.GetValue()
> -------------------------------------------------
>
> >From API doc, OBVectorData has a GetData method, but
> dp object seems not have such method.
>
> anything wrong?
>
> Help will be really appreciate. Thank you.
>
> kzfm
>
> ---
> pygamess: https://github.com/kzfm/pygamess
>
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