Author: bugman
Date: Mon Jul 25 14:43:10 2011
New Revision: 13858
URL: http://svn.gna.org/viewcvs/relax?rev=13858&view=rev
Log:
Merged revisions 13845-13857 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3
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r13845 | bugman | 2011-07-25 10:07:31 +0200 (Mon, 25 Jul 2011) | 5 lines
Added some old 2004 scripts for creating a uniform vector distribution and
calculating relaxation data.
This will be used in the end to build a quick test for the
dauvergne_protocol auto-analysis.
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r13846 | bugman | 2011-07-25 10:13:27 +0200 (Mon, 25 Jul 2011) | 3 lines
Modified the spherical vector distribution script in preparation for Python
3.
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r13847 | bugman | 2011-07-25 10:15:19 +0200 (Mon, 25 Jul 2011) | 3 lines
Modified the script to only have 3 incs.
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r13848 | bugman | 2011-07-25 10:15:51 +0200 (Mon, 25 Jul 2011) | 3 lines
Created the PDB representation of the spherical vector distribution for 9
vectors.
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r13849 | bugman | 2011-07-25 10:37:49 +0200 (Mon, 25 Jul 2011) | 3 lines
Converted the relaxation data generation script from relax 1.0 format to
relax 1.3.
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r13850 | bugman | 2011-07-25 12:02:17 +0200 (Mon, 25 Jul 2011) | 9 lines
Added initial support for determining protein connectivities in the
internal structural reader.
This is currently only for intra-residue connectivities in the protein
backbone. A number of new
methods have been added:
_mol_type()
_protein_connect()
_protein_intra_connect()
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r13851 | bugman | 2011-07-25 12:20:43 +0200 (Mon, 25 Jul 2011) | 5 lines
Fixes for the test suite relaxation data creation script.
The code was not fully compatible with the relax 1.3 design.
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r13852 | bugman | 2011-07-25 12:21:13 +0200 (Mon, 25 Jul 2011) | 3 lines
Fixes to the relaxation data generation sample script based on the changes
of r13851.
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r13853 | bugman | 2011-07-25 12:22:22 +0200 (Mon, 25 Jul 2011) | 5 lines
The relaxation data is now for 500 and 900 MHz.
This larger difference should hopefully speed up optimisation in the test
suite.
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r13854 | bugman | 2011-07-25 12:23:36 +0200 (Mon, 25 Jul 2011) | 3 lines
Added the relaxation data.
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r13855 | bugman | 2011-07-25 13:45:04 +0200 (Mon, 25 Jul 2011) | 5 lines
Added the argument 'bc' to the relax_data.write() user function front end.
This currently doesn't do anything.
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r13856 | bugman | 2011-07-25 14:33:28 +0200 (Mon, 25 Jul 2011) | 5 lines
The 'bc' arg is now part of the value.write() user function, and all of the
return_value functions.
The arg is also propagated to the back-end of the relax_data.write() user
function.
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r13857 | bugman | 2011-07-25 14:34:12 +0200 (Mon, 25 Jul 2011) | 3 lines
The back calculated data is now written out to file in the synthetic
relaxation data script.
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Added:
branches/gui_testing/test_suite/shared_data/model_free/sphere/
- copied from r13857, 1.3/test_suite/shared_data/model_free/sphere/
Modified:
branches/gui_testing/ (props changed)
branches/gui_testing/generic_fns/relax_data.py
branches/gui_testing/generic_fns/structure/internal.py
branches/gui_testing/generic_fns/value.py
branches/gui_testing/prompt/relax_data.py
branches/gui_testing/prompt/value.py
branches/gui_testing/sample_scripts/generate_ri.py
branches/gui_testing/specific_fns/api_base.py
branches/gui_testing/specific_fns/api_common.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: branches/gui_testing/generic_fns/relax_data.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/generic_fns/relax_data.py?rev=13858&r1=13857&r2=13858&view=diff
Modified: branches/gui_testing/generic_fns/structure/internal.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/generic_fns/structure/internal.py?rev=13858&r1=13857&r2=13858&view=diff
Modified: branches/gui_testing/generic_fns/value.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/generic_fns/value.py?rev=13858&r1=13857&r2=13858&view=diff
Modified: branches/gui_testing/prompt/relax_data.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/prompt/relax_data.py?rev=13858&r1=13857&r2=13858&view=diff
Modified: branches/gui_testing/prompt/value.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/prompt/value.py?rev=13858&r1=13857&r2=13858&view=diff
Modified: branches/gui_testing/sample_scripts/generate_ri.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/sample_scripts/generate_ri.py?rev=13858&r1=13857&r2=13858&view=diff
Modified: branches/gui_testing/specific_fns/api_base.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/specific_fns/api_base.py?rev=13858&r1=13857&r2=13858&view=diff
Modified: branches/gui_testing/specific_fns/api_common.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/specific_fns/api_common.py?rev=13858&r1=13857&r2=13858&view=diff
r13858 - in /branches/gui_testing: ./ generic_fns/ generic_fns/structure/ prompt/ sample_scripts/ specific_fns/ test_suite/s...