relax SVN archive

Merged revisions 20737 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r20737 | bugman | 2013-09-02 11:15:53 +0200 (Mon, 02 Sep 2013) | 5 lines

The isInf() and isNan() functions of lib.float can now handle values of None.

If None is encountered, the functions simply return False.
........

The model-free optimisation code now handles minfx returning nothing.

This is due to the fix of bug #21001 (https://gna.org/bugs/?21001) in relax, which is really a fix
for an upstream minfx (https://gna.org/projects/minfx/) bug (bug #21090 at
https://gna.org/bugs/?21090).

The isInf() and isNan() functions of lib.float can now handle values of None.

If None is encountered, the functions simply return False.

Fix for bug #21081 (https://gna.org/bugs/?21081) - the failure of a dispersion cluster analysis.

The problem was that the specific_analyses.relax_disp.disp_data.loop_cluster() generator method was
not taking the spin.select flag into account. Now all deselected spins are excluded from the spin
clusters and the free spins.

Created a system test to catch bug #21081 (https://gna.org/bugs/?21081).

This uses a truncated version of Troel Linnet's save state attached to the bug report (the data
pipes not used in the model selection have been manually deleted as well as all by the first 3 spins
in the remaining 2 data pipes).

Alphabetical ordering of all of the Relax_disp system tests.

Renamed many of the Relax_disp system tests to bring some order to the naming.

The Relax_disp.test_r1rho_ns_r1rho_2site_to_tp02 system test now passes.

The optimised values have been hard-coded into the system test. They do not match the TP02 results,
but are close.

A number of fixes for the 'NS R1rho 2-site' dispersion model.

The model should now be fully functional. The chemical shift and R1 related data are now assembled
for this model, and the data correctly passed from the target function to the lib.dispersion
module.

Created the Relax_disp.test_r1rho_ns_r1rho_2site_to_tp02 system test for the new 'NS R1rho 2-site' model.

This tests the 'NS R1rho 2-site' model against the R1rho off-resonance test data from the 'TP02' model.