relax SVN archive

Merged revisions 26483 via svnmerge from
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r26483 | tlinnet | 2014-11-10 16:05:54 +0100 (Mon, 10 Nov 2014) | 5 lines

Speedup and fix for systemtest Relax_disp.test_dx_map_clustered_create_par_file.

The following test was taken out, since this a particular interesting case.
There exist a double minimum, where relax has not found the global minimum.
This is due to not grid searching for R2A, but using the minimum value.
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Merged revisions 26395 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r26395 | bugman | 2014-10-28 19:47:10 +0100 (Tue, 28 Oct 2014) | 3 lines

Small indexing fixes for the dispersion chapter of the relax manual.
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Merged revisions 26482 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r26482 | tlinnet | 2014-11-10 16:05:51 +0100 (Mon, 10 Nov 2014) | 3 lines

Fix for systemtest Relax_disp.test_cpmg_synthetic_dx_map_points.

Another import line was written to the matplotlib script.
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Fix for bug #22937 (https://gna.org/bugs/?22937).

This is the failure of the Relax_disp.test_estimate_r2eff_err_auto system test on Python 2.5. The
test_suite/shared_data/dispersion/Kjaergaard_et_al_2013/1_setup_r1rho_GUI.py simply required a
newline character at the end of the file so that it can be executed in Python 2.5.

Fix for systemtest Relax_disp.test_bug_atul_srivastava.

The call to the expected RelaxError needed to be performed differently for erlier python versions that 2.7.

Bug fix for the frame_order.simulate user function.

The incorrect model number was being specified and hence the simulation was not starting from the
optimised average domain position but rather the arbitrary position of the original structure.

Speedup and fix for systemtest Relax_disp.test_dx_map_clustered_create_par_file.

The following test was taken out, since this a particular interesting case.
There exist a double minimum, where relax has not found the global minimum.
This is due to not grid searching for R2A, but using the minimum value.

Fix for systemtest Relax_disp.test_cpmg_synthetic_dx_map_points.

Another import line was written to the matplotlib script.

Eliminated the lib.frame_order.iso_cone.populate_*() functions.

The populate_1st_eigenframe_iso_cone() function was unused and incorrect, so it was deleted. The
contents of the populate_2nd_eigenframe_iso_cone() function have been shifted
compile_2nd_matrix_iso_cone() as a separate function is unnecessary. This now matches all the other
lib.frame_order modules.

Updated the frame order matrix element graphs for the free rotor isotropic cone fixes.

The cone S1 parameter has been converted back to the original cone theta opening half-angle,
allowing the 2nd degree frame order matrix elements to be properly calculated for all motions.