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Commit Date  
[r23217] by tlinnet

Fix for systemtest test_cpmg_synthetic_dx_map_points.

task #7793: (https://gna.org/task/?7793) Speed-up of dispersion models.

This is after commit 23216:
The systemtest uses: GRID_INC = None, which have found to be catastrophic: https://gna.org/bugs/?22032.
Commit 23216 fixed this, and now the found minimization point is much much better.

Start:
0.8 3.92 0.39964
End:
0.76982 3.9169 0.41353

2014-05-18 21:36:17 Tree
[r23216] by tlinnet

Huge speed-up for model CR72.

task #7793: (https://gna.org/task/?7793) Speed-up of dispersion models.

Systemtest Relax_disp.test_cpmg_synthetic_cr72_full_noise_cluster
changes from 7 seconds to 4.5 seconds.

This is won by not checking single values in the R2eff array for math domain
errors, but calculating all steps, and in one single round check for finite values.
If just one non-finite value is found, the whole array is returned with a large
penalty of 1e100.

This makes all calculations be the fastest numpy array way.

2014-05-18 21:36:14 Tree
[r23215] by tlinnet

Initialized merge tracking via "svnmerge" with revisions "1-23213" from
svn+ssh://tlinnet@.../svn/relax/trunk

2014-05-18 20:11:48 Tree
[r23214] by tlinnet

Created branch for the testing of speeding up dispersion analysis.

This can be a disruptive process, and needs its own branch.
This branch can then be tested for speed against trunk.

task #7793:(https://gna.org/task/?7793) Speed-up of dispersion models.

2014-05-18 19:25:45 Tree
[r23213] by tlinnet

Branch "disp_speed" deleted, since svnmerge.py give a strange error:
"svnmerge: no integration info available".

2014-05-18 19:24:01 Tree
[r23212] by tlinnet

Initialized merge tracking via "svnmerge" with revisions "1-23149" from
svn+ssh://tlinnet@.../svn/relax/trunk

2014-05-18 18:16:05 Tree
[r23211] by bugman

Fix for a number of the frame order models which do not have parameter constraints.

The linear_constraint() function was returning A, b = [], [] for these models, but these empty numpy
arrays were causing the minfx library (https://gna.org/projects/minfx/) to fail. These values are
now caught and the constraint algorithm turned off in the minimise() specific API method.

2014-05-17 16:03:46 Tree
[r23210] by bugman

Removed an unused import and an extra blank line.

2014-05-17 16:03:44 Tree
[r23209] by bugman

Parameter update for the isotropic cone CaM frame order test model optimisation script.

The Euler angles for the rotation about the motional pivot have been replaced by the translation
vector and Euler angle CoM rotation parameters.

2014-05-16 14:55:55 Tree
[r23208] by bugman

Updated the CaM frame order test model superimposition script.

The structure.superimpose user function is now correctly called. The output log file has been added
to the repository as it contains the correct translation and Euler rotation information needed for
the test models.

2014-05-16 14:36:45 Tree
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