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[r11061] by michaelbieri

The relaxGUI controller updates its progress bar using informations from the status singleton during model-free analysis.

Currently, there is a maximum of iterations set for models 1 - 5. This also has to be set in the dauvergne_protocol.py script. Edward, what do you think about limiting to 20 iterations?

2010-04-12 01:02:19 Tree
[r11060] by michaelbieri

Status for local tm models is correctly assigned in dauvergne_protocol.py.

2010-04-12 00:58:01 Tree
[r11059] by bugman

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.

2010-03-29 15:44:32 Tree
[r11058] by bugman

The ellipsoidal diff tensor relaxation data was not fully regenerated in r11056.

2010-03-29 15:41:46 Tree
[r11057] by bugman

The spheroid diffusion tensor optimisation test now checks the values.

2010-03-29 15:40:08 Tree
[r11056] by bugman

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.

2010-03-29 15:27:15 Tree
[r11055] by bugman

The unit bond vectors are now normalised using the numpy.linalg.norm() function.

2010-03-29 15:24:46 Tree
[r11054] by bugman

Fixes for the tests of the spheroid diffusion tensor.

2010-03-29 12:46:43 Tree
[r11053] by bugman

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!

2010-03-29 09:50:39 Tree
[r11052] by bugman

Path fix for the relax installation directory.

This corresponds to the shifting of this string into __main__.install_path at r11000 of the 1.3
line. This problem was identified by Michael Bieri at
https://mail.gna.org/public/relax-devel/2010-03/msg00060.html (Message-id:
<4BAFE29C.7090907@...>).

2010-03-29 09:40:31 Tree
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