Feature Requests item #3601642, was opened at 2013-01-21 07:36
Message generated for change (Comment added) made by hansonr
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Category: None
Group: None
>Status: Closed
Priority: 5
Private: No
Submitted By: Alexander Goncearenco (neksa)
Assigned to: Nobody/Anonymous (nobody)
Summary: Isosurface - slow color remapping

Initial Comment:
Hi,

I am using version Jmol 13.0.10 with JRE 1.6.

isosurface sasurface
This is a very fast calculation (takes seconds).

isosurface map property temperature
Color mapping / remapping is extremely slow (takes minutes). Why is it so? 

I have read that remapping is supposed to be very fast:
http://osdir.com/ml/Jmol-java-viewer-chemical-structures-3d/2011-04/msg00059.html

I need to apply different color mappings to the same surface. Initially I 
thought that making a JVXL file with polygons/vertex information will save some 
time. But it turned out that color remapping takes significantly more time than 
isosurface creation (in case of sasurface). Am I doing it wrong or is it a bug?

Thanks,
Alex

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>Comment By: Bob Hanson (hansonr)
Date: 2013-01-21 15:26

Message:
I don't believe this is a bug or a feature request. Color mapping is not
slow from grid data, but it can be slow from atom-based data when more than
just the nearest-atom value is used, as in MEP. This is because the 1/r
dependance of that does not allow for only a local range of values being
used (or at least not when done properly -- summed 1/r dependencies go up
as r as the distance from the point gets larger in a constant-density field
of atoms). 

Try

set isosurfacePropertySmoothing FALSE

You can also experiment with

set isosurfacePropertySmoothing TRUE
isosurface sasurface map property temperature  within  5.0

which will allow you to still have smoothing but not with such long-range
affects. This will be faster.







Does that explain the problem?



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Comment By: Alexander Goncearenco (neksa)
Date: 2013-01-21 07:53

Message:
Please move to "Bugs". I accidentally posted it to feature requests. Shall
I re-post?

----------------------------------------------------------------------

Comment By: Alexander Goncearenco (neksa)
Date: 2013-01-21 07:53

Message:
Please move to "Bugs". I accidentally posted it to feature requests. Shall
I re-post?

----------------------------------------------------------------------

You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=379136&aid=3601642&group_id=23629

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