Author: bugman
Date: Thu Jul 24 14:50:06 2008
New Revision: 6953
URL: http://svn.gna.org/viewcvs/relax?rev=6953&view=rev
Log:
Merged revisions 6939-6940,6946-6951 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3
........
r6939 | semor | 2008-07-11 15:13:22 +0200 (Fri, 11 Jul 2008) | 8 lines
Started the modification from 'devnull' to tempfiles.
This is as proposed by Edward d'Auvergne to catch the creation of a well
formatted and non empty
tensor pdb file and was discussed in a post at:
https://mail.gna.org/public/relax-devel/2008-07/msg00029.html (message ID:
7f080ed10807081248r1f0fda8axd17768bb841efe71@xxxxxxxxxxxxxx)
........
r6940 | bugman | 2008-07-16 18:50:15 +0200 (Wed, 16 Jul 2008) | 3 lines
Made the spin_name arg optional in the spin.create() user function.
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r6946 | bugman | 2008-07-24 13:59:45 +0200 (Thu, 24 Jul 2008) | 3 lines
Improvements to the chi-squared value, gradient, and Hessian docstrings.
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r6947 | bugman | 2008-07-24 14:20:02 +0200 (Thu, 24 Jul 2008) | 9 lines
Overhaul of the chi-squared gradient and Hessian functions.
The original functions have been renamed to dchi2_element and
d2chi2_element as these calculate the
gradient for element j and the Hessian for element {j, k}. Two new
functions, dchi2 and d2chi2 have
been written to calculate the full gradient and Hessian in one function
call.
These changes will temporarily break a lot of code!
........
r6948 | bugman | 2008-07-24 14:37:10 +0200 (Thu, 24 Jul 2008) | 3 lines
Fixed the model-free optimisation code to use the dchi2_element and
d2chi2_element functions.
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r6949 | bugman | 2008-07-24 14:45:23 +0200 (Thu, 24 Jul 2008) | 5 lines
Fixed the unit tests for dchi2_element and d2chi2_element.
Two new unit tests have been added for the dchi2 and d2chi2 functions as
well.
........
r6950 | bugman | 2008-07-24 14:46:16 +0200 (Thu, 24 Jul 2008) | 3 lines
Added some missing imports.
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r6951 | bugman | 2008-07-24 14:46:31 +0200 (Thu, 24 Jul 2008) | 3 lines
Removed some old code.
........
Modified:
branches/rdc_analysis/ (props changed)
branches/rdc_analysis/generic_fns/relax_data.py
branches/rdc_analysis/maths_fns/chi2.py
branches/rdc_analysis/maths_fns/mf.py
branches/rdc_analysis/prompt/spin.py
branches/rdc_analysis/test_suite/system_tests/diffusion_tensor.py
branches/rdc_analysis/test_suite/unit_tests/_maths_fns/test_chi2.py
branches/rdc_analysis/test_suite/unit_tests/_prompt/test_spin.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: branches/rdc_analysis/generic_fns/relax_data.py
URL:
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/generic_fns/relax_data.py?rev=6953&r1=6952&r2=6953&view=diff
Modified: branches/rdc_analysis/maths_fns/chi2.py
URL:
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/maths_fns/chi2.py?rev=6953&r1=6952&r2=6953&view=diff
Modified: branches/rdc_analysis/maths_fns/mf.py
URL:
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/maths_fns/mf.py?rev=6953&r1=6952&r2=6953&view=diff
Modified: branches/rdc_analysis/prompt/spin.py
URL:
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/prompt/spin.py?rev=6953&r1=6952&r2=6953&view=diff
Modified: branches/rdc_analysis/test_suite/system_tests/diffusion_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/test_suite/system_tests/diffusion_tensor.py?rev=6953&r1=6952&r2=6953&view=diff
Modified: branches/rdc_analysis/test_suite/unit_tests/_maths_fns/test_chi2.py
URL:
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/test_suite/unit_tests/_maths_fns/test_chi2.py?rev=6953&r1=6952&r2=6953&view=diff
Modified: branches/rdc_analysis/test_suite/unit_tests/_prompt/test_spin.py
URL:
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/test_suite/unit_tests/_prompt/test_spin.py?rev=6953&r1=6952&r2=6953&view=diff
r6953 - in /branches/rdc_analysis: ./ generic_fns/ maths_fns/ prompt/ test_suite/system_tests/ test_suite/unit_tests/_maths_...