relax SVN archive

svn+ssh://bugman@.../svn/relax/trunk

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r23368 | bugman | 2014-05-23 10:06:32 +0200 (Fri, 23 May 2014) | 11 lines

Changed most default dispersion parameter values to avoid edge cases where there is no exchange.

The dw parameters were all 0.0 and kex 1e5, both of which result in no exchange. If this is ever
used for an optimisation starting point - which it never should, apart from development, test suite,
and debugging purposes - then the optimisation algorithm will have a very hard time recovering. The
pA parameter has been changed to 0.90 to set it to a reasonable value while still staying far away
from the no exchange condition of pA = 1.0.

This follows from http://article.gmane.org/gmane.science.nmr.relax.devel/5917.
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r23369 | bugman | 2014-05-23 10:10:46 +0200 (Fri, 23 May 2014) | 10 lines

Fixes for 3 dispersion system tests for the change in default parameter values.

The default values are used in the auto-analysis in the test suite to avoid the grid search. The
changed values affected the optimisation of two spins from Flemming Hansen's data located at
test_suite/shared_data/dispersion/Hansen/, residue 4 used as an example of no exchange and residue
70 used as an example where data is only available at one field. The system test
Relax_disp.test_set_grid_r20_from_min_r2eff_cpmg was also modified as it was directly checking these
default values.
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r23370 | bugman | 2014-05-23 10:18:37 +0200 (Fri, 23 May 2014) | 7 lines

Fix for the Relax_disp.test_cpmg_synthetic_dx_map_points system test.

This uses the default parameter values to start the optimisation, therefore the recent change away
from edge case 'no Rex' values allows the parameter values stored in ds.dx_clust_val to be correctly
optimised.
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