relax SVN archive

Merged revisions 4585-4586 via svnmerge from
svn+ssh://semor@.../svn/relax/1.3

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r4585 | bugman | 2008-01-10 08:35:02 -0500 (Thu, 10 Jan 2008) | 22 lines

Manually ported r4584 from the 1.2 line - the fix to bug #8997 (https://gna.org/bugs/?8997).

The command used was:
svn merge -r4583:4584 svn+ssh://bugman@.../svn/relax/1.2

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r4584 | bugman | 2008-01-10 14:30:10 +0100 (Thu, 10 Jan 2008) | 11 lines
Changed paths:
M /1.2/generic_fns/palmer.py

Fix for bug #8997 (https://gna.org/bugs/index.php?8997).

This bug was reported by Carl Diehl (carl dot diehl at bpc dot lu dot se).

The problem was because of a change between relax versions 1.0 and 1.2. Previously the residue
number was being searched for, but the changes used the absolute position to significantly speed up
the code. But the absolute positions are different in a Modelfree 'mfout' file if simulations are
run. The absolute position in this situation is now properly calculated and the test data attached
to the bug report by Seb now works.
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r4586 | bugman | 2008-01-10 09:54:12 -0500 (Thu, 10 Jan 2008) | 3 lines

Removed a few empty __init__() class methods and shifted their docstrings to the class docstring.
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Updated the alignment tensor init() unit test to match the new structure.

Updated the matrix_angles() and svd() functions for the new alignment tensor structure.

Updated the generic_fns.align_tensor.align_data_exists() method for the new data structure.

The AlignTensorData instance is now passed into the set() function.

This also fixes a bug in the setting of the Euler angles as they were previously placed in the
dictionary object and not the AlignTensorData object.

Allowed the alignment tensor name structure 'name' to be modifiable.

Bug fix for the alignment tensor unit tests. AlignTensorData initialisation requires a tensor name!

The generic_fns.align_tensor.init() function now initialises the alignment tensor structure properly.

Recreated the AlignTensorData.__init__() method to allow the tensor name to be set.

Wrote the AlignTensorList class for storing all of the alignment tensors for a single data pipe.