relax SVN archive

Merged revisions 24020-24021,24024 via svnmerge from
svn+ssh://tlinnet@.../svn/relax/trunk

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r24020 | bugman | 2014-06-17 12:07:35 +0200 (Tue, 17 Jun 2014) | 7 lines

Created an initial Relax_disp.test_lm63_3site_synthetic system test.

This should have been set up a long time ago. It uses the synthetic noise-free data in the
test_suite/shared_data/dispersion/lm63_3site directory which was created for a system test but never
converted into one. The test still needs modifications to allow it to pass.
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r24021 | bugman | 2014-06-17 12:15:31 +0200 (Tue, 17 Jun 2014) | 7 lines

Modifications for the Relax_disp.test_lm63_3site_synthetic system test.

The r2eff_values.bz2 saved state file has been updated, as it was too old to use in the test. The
test has also had a typo bug fixed and the data pipe name updated. The test now also checks all of
the optimised values.
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r24024 | tlinnet | 2014-06-17 12:32:34 +0200 (Tue, 17 Jun 2014) | 4 lines

Removed systemtest test_hansen_cpmg_data_to_lm63_3site.

This was a temporary implementation and has been replaced with systemtest:
Relax_disp.test_lm63_3site_synthetic
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Removed systemtest test_hansen_cpmg_data_to_lm63_3site.

This was a temporary implementation and has been replaced with systemtest:
Relax_disp.test_lm63_3site_synthetic

Fix for systemtest test_korzhnev_2005_all_data_disp_speed_bug.

The precision is lowered, and now matches the original systemtest.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Fix for structure cleaning and value replacing for model mmq CR72.

System test: test_korzhnev_2005_all_data
revealed how this should be done properly.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Modifications for the Relax_disp.test_lm63_3site_synthetic system test.

The r2eff_values.bz2 saved state file has been updated, as it was too old to use in the test. The
test has also had a typo bug fixed and the data pipe name updated. The test now also checks all of
the optimised values.

Created an initial Relax_disp.test_lm63_3site_synthetic system test.

This should have been set up a long time ago. It uses the synthetic noise-free data in the
test_suite/shared_data/dispersion/lm63_3site directory which was created for a system test but never
converted into one. The test still needs modifications to allow it to pass.

Moved the cleaning of data points and replacing of values of out loop for model ns mmq 2site.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Fix for systemtest: test_korzhnev_2005_all_data

The masking for replacing values was wrong.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Speed up for the frame order analyses when only one domain is aligned.

When only one domain is aligned, the reverse Ln3+ to spin vectors for the PCS are no longer
calculated. For most analyses, this should significantly reduce the number of mathematical
operations required for the quasi-random Sobol' point numerical integration.

Changed the parameter values for the Frame_order.test_cam_pseudo_ellipse_torsionless* system tests.

The theta_x and theta_y angles are now swapped. The chi-squared values are now also lower in the
3 system tests as the data is now of much higher precision.