[chimera-dev] attribute for selection?

[Conrad Huang]

Chimera does not use an attribute for "selectedness" because there are 
actually multiple classes of objects that may be selected.  As you 
discovered, chimera.selection.currentSOMETHING() will return the 
selected objects of the correct type.

To make your code run faster, you should not call 
chimera.selection.currentAtoms() inside the loop because it gets 
recomputed unnecessarily.  Instead, try something like:

selected = frozenset(chimera.selection.currentAtoms())
for a in chimera.openModels.list()[0].atoms:
	if a in selected:
		print "this atom is selected"
	else:
		print "this one isn't"

This should run much faster for two reasons: (a) the selected atoms are 
not recomputed multiple times, and (b) the "a in ..." test is using a 
set instead of a list (returned by currentAtoms()) and should be much 
more efficient.

Hope this helps

Conrad

On 10/11/12 5:19 AM, Jean Didier Pie Marechal wrote:
> Sorry,
>
> just to clarify my previous request:
>
> this is a script that does what I want though a selection attribute would be faster I think.
>
> for a in chimera.openModels.list()[0].atoms:
> if a in chimera.selection.currentAtoms():
>           print "this atom of the molecule is selected" #to say something
> else: print "this one isn't"
>
> cheers
>
>
> Dr. Jean-Didier Maréchal
> Lecturer
> The Computational Biotechnological Chemistry Team
> Unitat de Química Física
> Departament de Química
> Universitat Autònoma de Barcelona
> Edifici C.n.
> 08193 Cerdanyola (Barcelona)
> Tel: +34.935814936
> e-mail: JeanDidier.Marechal at uab.es
> www: http://asklipio.qf.uab.es
>
> ----- Missatge original -----
> De: Jean Didier Pie Marechal <JeanDidier.Marechal at uab.cat>
> Data: Dijous, Octubre 11, 2012 12:39 pm
> Assumpte: attribute for selection?
>
>> HI,
>>
>> I want to add attributes to atoms that are selected and those that
>> aren't. I thought that atoms had a selection attribute already
>> defined in chimera (something like a boolean) but I don't find it.
>> I am wrong with that?
>>
>> best,
>> JD
>>
>>
>> Dr. Jean-Didier Maréchal
>> Lecturer
>> The Computational Biotechnological Chemistry Team
>> Unitat de Química Física
>> Departament de Química
>> Universitat Autònoma de Barcelona
>> Edifici C.n.
>> 08193 Cerdanyola (Barcelona)
>> Tel: +34.935814936
>> e-mail: JeanDidier.Marechal at uab.es
>> www: http://asklipio.qf.uab.es
>>
>
>
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