Author: bugman
Date: Tue Jun 29 23:19:22 2010
New Revision: 11265
URL: http://svn.gna.org/viewcvs/relax?rev=11265&view=rev
Log:
Merged revisions 11243-11246,11248-11263 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/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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Added:
branches/bmrb/maths_fns/pseudo_ellipse.py
- copied unchanged from r11263, 1.3/maths_fns/pseudo_ellipse.py
Modified:
branches/bmrb/ (props changed)
branches/bmrb/generic_fns/align_tensor.py
branches/bmrb/generic_fns/grace.py
branches/bmrb/generic_fns/pcs.py
branches/bmrb/generic_fns/rdc.py
branches/bmrb/generic_fns/structure/geometric.py
branches/bmrb/info.py
branches/bmrb/maths_fns/__init__.py
branches/bmrb/maths_fns/n_state_model.py
branches/bmrb/maths_fns/rotation_matrix.py
branches/bmrb/prompt/align_tensor.py
branches/bmrb/prompt/pcs.py
branches/bmrb/prompt/rdc.py
branches/bmrb/relax_io.py
branches/bmrb/specific_fns/n_state_model.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: branches/bmrb/generic_fns/align_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/align_tensor.py?rev=11265&r1=11264&r2=11265&view=diff
Modified: branches/bmrb/generic_fns/grace.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/grace.py?rev=11265&r1=11264&r2=11265&view=diff
Modified: branches/bmrb/generic_fns/pcs.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/pcs.py?rev=11265&r1=11264&r2=11265&view=diff
Modified: branches/bmrb/generic_fns/rdc.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/rdc.py?rev=11265&r1=11264&r2=11265&view=diff
Modified: branches/bmrb/generic_fns/structure/geometric.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/structure/geometric.py?rev=11265&r1=11264&r2=11265&view=diff
Modified: branches/bmrb/info.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/info.py?rev=11265&r1=11264&r2=11265&view=diff
Modified: branches/bmrb/maths_fns/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/maths_fns/__init__.py?rev=11265&r1=11264&r2=11265&view=diff
Modified: branches/bmrb/maths_fns/n_state_model.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/maths_fns/n_state_model.py?rev=11265&r1=11264&r2=11265&view=diff
Modified: branches/bmrb/maths_fns/rotation_matrix.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/maths_fns/rotation_matrix.py?rev=11265&r1=11264&r2=11265&view=diff
Modified: branches/bmrb/prompt/align_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/prompt/align_tensor.py?rev=11265&r1=11264&r2=11265&view=diff
Modified: branches/bmrb/prompt/pcs.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/prompt/pcs.py?rev=11265&r1=11264&r2=11265&view=diff
Modified: branches/bmrb/prompt/rdc.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/prompt/rdc.py?rev=11265&r1=11264&r2=11265&view=diff
Modified: branches/bmrb/relax_io.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/relax_io.py?rev=11265&r1=11264&r2=11265&view=diff
Modified: branches/bmrb/specific_fns/n_state_model.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bmrb/specific_fns/n_state_model.py?rev=11265&r1=11264&r2=11265&view=diff
r11265 - in /branches/bmrb: ./ generic_fns/ generic_fns/structure/ maths_fns/ prompt/ specific_fns/