relax SVN archive

Merged revisions 3299 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

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r3299 | bugman | 2007-05-30 17:31:19 +0200 (Wed, 30 May 2007) | 9 lines

Fix for bug #9189 (https://gna.org/bugs/index.php?9189).

This bug was reported by Neil Syme (bmbnrs at leeds dot ac dot uk).

Two of the functions accessed when the second set of extended model-free formulae - using the
parameters {S2f, tf, S2s, ts} rather than the standard {S2, S2f, tf, ts} - do not exist. This were
changed to the correct functions (hopefully)!
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Blocked revisions 3260,3286,3290,3297 via svnmerge

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r3260 | macraild | 2007-04-03 19:19:34 +0200 (Tue, 03 Apr 2007) | 4 lines

A further attempt to make boolean mol-res-spin selection work. This is
still some way from a solution.
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r3286 | bugman | 2007-05-08 23:04:54 +0200 (Tue, 08 May 2007) | 15 lines

Hand ported r3285 from the 1.2 line, the fix for bug #8953 (https://gna.org/bugs/?8953).

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Fix for bug #8953 (https://gna.org/bugs/?8953).

The bug was introduced by a fix to the model-free results writing function. In relax versions 1.2.9
and below, no data about a residue was being stored in the results file if it was deselected. This
behaviour undesirable as a spin system could be deselected temporarily and later on reselected. If
this process is deliberately interrupted by using 'results.write()' followed by 'results.read()' to
resume, then there will be data loss.

The fix was simple: check for the presence of the 'data.num_ri' data structure.
.....
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r3290 | bugman | 2007-05-09 00:50:45 +0200 (Wed, 09 May 2007) | 20 lines

Manually ported the relevent part of r3288 (the fix to bug #9101 (https://gna.org/bugs/?9101)).

The changes to errors.py and specific_fns/model_free.py were not ported.

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r3288 | bugman | 2007-05-08 23:48:05 +0200 (Tue, 08 May 2007) | 6 lines
Changed paths:
M /1.2/errors.py
M /1.2/specific_fns/model_free.py
M /1.2/specific_fns/relax_data.py

Fix for bug #9101 (https://gna.org/bugs/?9101).

The relax_data.read() user function was failing when the data or error column contained the text
'None' which is the default output for deselected spin systems in the exponential curve fitting
component of relax. This is now fixed.
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r3297 | bugman | 2007-05-30 17:04:16 +0200 (Wed, 30 May 2007) | 8 lines

Fix for bug #9238 (https://gna.org/bugs/?9238).

This fatal bug was reported by Sébastien Morin.

The fix was slightly different from that posted in the bug report as the factor of 2 pi was still
required.
........

Fix for bug #9189 (https://gna.org/bugs/index.php?9189).

This bug was reported by Neil Syme (bmbnrs at leeds dot ac dot uk).

Two of the functions accessed when the second set of extended model-free formulae - using the
parameters {S2f, tf, S2s, ts} rather than the standard {S2, S2f, tf, ts} - do not exist. This were
changed to the correct functions (hopefully)!

Hand ported r3297 from the 1.3 line - the fix for bug #9238.

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r3297 | bugman | 2007-05-30 17:04:16 +0200 (Wed, 30 May 2007) | 8 lines

Fix for bug #9238 (https://gna.org/bugs/?9238).

This fatal bug was reported by Sébastien Morin.

The fix was slightly different from that posted in the bug report as the factor of 2 pi was still
required.
.....

Fix for bug #9238 (https://gna.org/bugs/?9238).

This fatal bug was reported by Sébastien Morin.

The fix was slightly different from that posted in the bug report as the factor of 2 pi was still
required.

more documentation strings (completed if buggy for multi.processor)

minor improvements and much documentation of the Processor class

Bug fix.

The setting up of Monte Carlo simulations was failing because of the existance of the empty
parameter vector []. This situation occurs after model selection when the residue is deselected
(after the reading of a model-free results file).

Bug fix.

The reading of model-free results files was failing for residues with the parameters vector of None
(as well as the parameter set set to None and the model-free equation set to None). This situation
occurs after model selection when the residue is deselected.

Bug fix for the full_analysis.py script.

The list of model-free models needed to be placed into 'self.runs' for model selection to work.