Re: [PyMOL] Chempy model

[Андрей Г. <gon...@gm...>]

Thanks. Just like I thought...

2011/10/14 Tsjerk Wassenaar <ts...@gm...>:
> Hi Андрей,
>
> That is not possible.
>
> You set a new property on a chempy model instance. load_model converts
> that model into an internal representation, simply neglecting the new
> property. get_model creates a fresh chempy model instance, which has
> no .name property.
>
> If you really, really want to do it, you'll have to change the chempy
> model class definition in the code, but also change the internal
> structure and the functions load_model and get_model.
>
> The best solution is just do the bookkeeping yourself in the script.
>
>
> Cheers,
>
> Tsjerk
>
>
> On Fri, Oct 14, 2011 at 12:06 PM, Андрей Гончар <gon...@gm...> wrote:
>> Hello.
>> As an example:
>> I create a chempy model
>> m = chempy.model.Indexed()
>> I add some atoms and bonds to this model
>> I add an attribute 'name' to this model
>> m.name = 'model_name'
>> After that I load this model into PyMOL
>> cmd.load_model(m, 'loaded_model')
>> [I do something] an I want my model back. So I execute
>> m1 = cmd.get_model('loaded_model')
>> But now object m1 does not have the attribute 'name'
>> and m1.name gives an error.
>>
>> Is it possible to add and preserve extra arguments to model objects?
>>
>> --
>>
>> Андрей Гончар
>>
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>
>
>
> --
> Tsjerk A. Wassenaar, Ph.D.
>
> post-doctoral researcher
> Molecular Dynamics Group
> * Groningen Institute for Biomolecular Research and Biotechnology
> * Zernike Institute for Advanced Materials
> University of Groningen
> The Netherlands
>



-- 

Андрей Гончар