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Commit [r11072]  Maximize  Restore  History

Merged revisions 11053-11059,11070-11071 via svnmerge from

svn+ssh://michaelbieri@.../svn/relax/1.3

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r11053 | bugman | 2010-03-29 20:50:39 +1100 (Mon, 29 Mar 2010) | 5 lines

Modified the spheroid diffusion tensor data generation so that Z is the symmetry axis.

This will allow direct mapping of Euler angles to spherical angles!
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r11054 | bugman | 2010-03-29 23:46:43 +1100 (Mon, 29 Mar 2010) | 3 lines

Fixes for the tests of the spheroid diffusion tensor.
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r11055 | bugman | 2010-03-30 02:24:46 +1100 (Tue, 30 Mar 2010) | 3 lines

The unit bond vectors are now normalised using the numpy.linalg.norm() function.
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r11056 | bugman | 2010-03-30 02:27:15 +1100 (Tue, 30 Mar 2010) | 5 lines

The simulation of PDB coordinate truncation now occurs after vector scaling by r.

This should now be a more accurate representation and allow relax to find these values exactly.
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r11057 | bugman | 2010-03-30 02:40:08 +1100 (Tue, 30 Mar 2010) | 3 lines

The spheroid diffusion tensor optimisation test now checks the values.
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r11058 | bugman | 2010-03-30 02:41:46 +1100 (Tue, 30 Mar 2010) | 3 lines

The ellipsoidal diff tensor relaxation data was not fully regenerated in r11056.
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r11059 | bugman | 2010-03-30 02:44:32 +1100 (Tue, 30 Mar 2010) | 6 lines

The ellipsoidal diff tensor check in check_ellipsoid() now functions better.

The diffusion elements are scaled down to the order of 1 so that the assertAlmostEqual() calls do
not fail with tiny machine precision differences.
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r11070 | bugman | 2010-04-12 23:25:06 +1000 (Mon, 12 Apr 2010) | 5 lines

Bug fix - 'local_mf_model' should have been called 'local_tm_model'.

This problem was identified by Michael (http://gna.org/task/?6847#comment44).
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r11071 | bugman | 2010-04-13 00:54:23 +1000 (Tue, 13 Apr 2010) | 8 lines

Correct repetitions spectra (again...)

This corresponds to the patch patch_load__correct_repetitions_spectra from Michael (in
http://gna.org/support/download.php?file_id=8921).

Repeated spectra are set correctly and unresolved file is read correctly.
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michaelbieri 2010-04-13

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