relax SVN archive

Merged revisions 11243-11246,11248-11263 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

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r11243 | bugman | 2010-06-15 16:51:24 +0200 (Tue, 15 Jun 2010) | 3 lines

Some function/method docstring epydoc formatting fixes.
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r11244 | bugman | 2010-06-15 16:56:43 +0200 (Tue, 15 Jun 2010) | 3 lines

The RDC and PCS correlation plots now also show the experimental errors.
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r11245 | bugman | 2010-06-15 17:05:56 +0200 (Tue, 15 Jun 2010) | 3 lines

Per point comments are now included in the Grace files.
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r11246 | bugman | 2010-06-15 18:48:01 +0200 (Tue, 15 Jun 2010) | 3 lines

Bug fix for the RDC back-calculation function.
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r11248 | bugman | 2010-06-25 14:16:55 +0200 (Fri, 25 Jun 2010) | 5 lines

Added a function for the pseudo-elliptical cosine function.

This is a numerical approximation generated by series expansion.
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r11249 | bugman | 2010-06-28 11:39:37 +0200 (Mon, 28 Jun 2010) | 3 lines

The RDCs and PCSs can now be given optimisation weights.
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r11250 | bugman | 2010-06-28 11:47:58 +0200 (Mon, 28 Jun 2010) | 6 lines

Fix for the relax_io.read_spin_data() function for when None is encountered.

The None values are now returned rather than skipped so that the calling code can decide what to do
with it.
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r11251 | bugman | 2010-06-28 11:48:38 +0200 (Mon, 28 Jun 2010) | 3 lines

Fix for the unit tests, the pseudo_ellipse module is now listed in maths_fns.__all__.
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r11252 | bugman | 2010-06-28 13:53:02 +0200 (Mon, 28 Jun 2010) | 6 lines

Fix for the get_data() function - the returned data structure is dependent on the errors.

Instead of a list of x, y, error 1, error 2 with the errors set to None if non-existent, only the
required errors are returned.
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r11253 | bugman | 2010-06-28 17:55:59 +0200 (Mon, 28 Jun 2010) | 3 lines

Fix for the Grace write_xy_data() function for when data values of None are passed in.
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r11254 | bugman | 2010-06-29 09:45:17 +0200 (Tue, 29 Jun 2010) | 3 lines

The alignment tensor optimisation is now optional within the population N-state model target fn.
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r11255 | bugman | 2010-06-29 11:07:54 +0200 (Tue, 29 Jun 2010) | 3 lines

Created the align_tensor.fix() user function for fixing the alignment tensor during optimisation.
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r11256 | bugman | 2010-06-29 11:12:37 +0200 (Tue, 29 Jun 2010) | 5 lines

The align_tensor.copy() tensor_to arg can now be None.

This is useful for copying between data pipes.
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r11257 | bugman | 2010-06-29 11:25:58 +0200 (Tue, 29 Jun 2010) | 5 lines

Added the N-state model _minimise_setup_fixed_tensors() method.

This assembles the fixed tensors into an array for use in the maths_fns code.
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r11258 | bugman | 2010-06-29 11:48:23 +0200 (Tue, 29 Jun 2010) | 3 lines

The fixed alignment tensors are no longer included in the parameter vector from _assemble_param_vector().
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r11259 | bugman | 2010-06-29 12:00:09 +0200 (Tue, 29 Jun 2010) | 3 lines

Fixed for the N-state model target functions for when there is nothing to optimisise.
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r11260 | bugman | 2010-06-29 12:24:04 +0200 (Tue, 29 Jun 2010) | 3 lines

Fixes for the N-state model introduced by the fixed tensors.
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r11261 | bugman | 2010-06-29 12:24:42 +0200 (Tue, 29 Jun 2010) | 3 lines

Fixes for the N-state model target function setup for when no parameters are optimised.
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r11262 | bugman | 2010-06-29 14:08:15 +0200 (Tue, 29 Jun 2010) | 3 lines

More fixes for fixed alignment tensors.
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r11263 | bugman | 2010-06-29 15:45:42 +0200 (Tue, 29 Jun 2010) | 3 lines

Better support for tensor-less N-state model optimisation.
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Started to create the diffusion tensor saveframe.

Better support for tensor-less N-state model optimisation.

More fixes for fixed alignment tensors.

Fixes for the N-state model target function setup for when no parameters are optimised.

Fixes for the N-state model introduced by the fixed tensors.

Fixed for the N-state model target functions for when there is nothing to optimisise.

The fixed alignment tensors are no longer included in the parameter vector from _assemble_param_vector().

Added the N-state model _minimise_setup_fixed_tensors() method.

This assembles the fixed tensors into an array for use in the maths_fns code.

The align_tensor.copy() tensor_to arg can now be None.

This is useful for copying between data pipes.