Unit cell and plotting from Console

General Discussion
1

Dear all,

i recently started using Avogadro and I’m wondering if it is possible to
access the base vectors of the unit cell from the console?

I figured out that I can plot things (lines, text, …) by using the
painter inside an engineScript but I didn’t succeed when using the
painter at the console. Is there a way to plot elements from the Console?

Thanks for your help
Armin

2

Hi,

On Wed, Feb 10, 2010 at 8:49 AM, Armin Moser
armin.moser@student.tugraz.at wrote:

Dear all,

i recently started using Avogadro and I’m wondering if it is possible to
access the base vectors of the unit cell from the console?

I’m not sure it is possible to get the unit cell vectors from python.
There is no UnitCell class in avogadro and OpenBabel’s OBUnitCell is
not available from python.

I figured out that I can plot things (lines, text, …) by using the
painter inside an engineScript but I didn’t succeed when using the
painter at the console. Is there a way to plot elements from the Console?

This is not possible. If you want to use a painter, you need to create
an engine(Script).

Tim

Thanks for your help
Armin

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3

I’m not sure it is possible to get the unit cell vectors from python.
There is no UnitCell class in avogadro and OpenBabel’s OBUnitCell is
not available from python.

We could certainly update the Open Babel python bindings to access OBUnitCell. That’s not hard to do.

-Geoff

4

On 10 February 2010 19:31, Geoffrey Hutchison geoff.hutchison@gmail.com wrote:

I’m not sure it is possible to get the unit cell vectors from python.
There is no UnitCell class in avogadro and OpenBabel’s OBUnitCell is
not available from python.

We could certainly update the Open Babel python bindings to access OBUnitCell. That’s not hard to do.

Well, it is possible from the regular Python bindings. See the
function at line 234 of

-Geoff

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