VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Jun 26 2007 - 14:52:31 CDT

Hi,
  I'll have to investigate this carefully.

The "updmacro" method you suggest seems the more preferable implementation,
since it would only require re-evaluation of the specific selection
being updated and would thus have a bounded worst-case performance.

Updating all selections on every call to 'atomselect macro' would
incur big performance problems in cases where either very large/complex
structures and selections are being used, so I'm somewhat opposed to that
behavior although it would certainly be the easiest to use.

I'll have to look at this more when I return from travelling in two weeks.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Jun 25, 2007 at 08:28:53PM -0400, Axel Kohlmeyer wrote:
>
> hi!
>
> when i redefine an existing macro with 'atomselect macro ...'
> i noticed, that representations using this macro are
> not updated unless i edit the selection string for
> this representation (e.g. by deleting and adding the
> same character) and hit enter. since i'm using this
> macro to keep a rather complicated geometry selection
> consistent across many representations.
>
> i'm now wondering, if this is the intended/preferred behavior,
> so it would be better to implement an 'updmacro' subcommand
> to atomselect, to get the behavior i would like or
> whether it would be preferable to change 'atomselect macro'
> directly to trigger re-evaluation of uses of that macro.
>
> any input would be appreciated.
>
> cheers,
> axel.
>
> --
> =======================================================================
> Axel Kohlmeyer akohlmey_at_cmm.chem.upenn.edu http://www.cmm.upenn.edu
> Center for Molecular Modeling -- University of Pennsylvania
> Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
> tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
> =======================================================================
> If you make something idiot-proof, the universe creates a better idiot. 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078