[task #7793] Speed-up of dispersion models -- May 10, 2014 - 18:49

URL:
  <http://gna.org/task/?7793>

                 Summary: Speed-up of dispersion models
                 Project: relax
            Submitted by: tlinnet
            Submitted on: Sat 10 May 2014 04:49:54 PM UTC
         Should Start On: Sat 10 May 2014 12:00:00 AM UTC
   Should be Finished on: Sat 10 May 2014 12:00:00 AM UTC
                Category: relax's source code
                Priority: 5 - Normal
                  Status: None
        Percent Complete: 0%
             Assigned to: tlinnet
             Open/Closed: Open
         Discussion Lock: Any
                  Effort: 0.00

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Details:

This was discussed in:
http://thread.gmane.org/gmane.science.nmr.relax.devel/5718

It will consist of two things.

Instead of looping over each point and check math domain errors, and then
return each value to backcalc list, the whole numpy array is calculated in one
go.
Thereafter there will be a check for the array.
If any array holds nan/Nan, the whole array is filled with 10**20 and
returned.

But still keep the looping over each point when returning values.
This testing can be done in the trunk.

The next step is to pass back the whole array of values, to the target
function, which then updates the class list in one go.
This should be done in a separate branch, to perform speed testing.




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