relax SVN archive

Speed-up of model TSMFK01.

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

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.

Critical fixes for systemtest: Relax_disp.test_hansen_cpmg_data_missing_auto_analysis.

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

This was found necessary after commit 23216.

It is suspected that when relax have touched boundary values which made
math domain errors, the error cathing have created local minima or
interfered with the simplex search algorithm.

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

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.

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

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.

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

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

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.

Removed an unused import and an extra blank line.