Author: bugman
Date: Tue Oct 7 14:24:31 2014
New Revision: 26182
URL: http://svn.gna.org/viewcvs/relax?rev=26182&view=rev
Log:
Merged revisions 26151-26163 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk
........
r26151 | tlinnet | 2014-10-06 02:39:43 +0200 (Mon, 06 Oct 2014) | 3 lines
Inserted a check in systemtest Relax_disp.test_dx_map_clustered, that a
call to minimise.calculate() should be the same as the file stored with the
clustered chi2 value.
Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate()
does not calculate chi2 value for clustered residues.
........
r26152 | tlinnet | 2014-10-06 02:39:46 +0200 (Mon, 06 Oct 2014) | 3 lines
Made initial preparation to loop over clustered spins and ids for
minimise.calculate() call.
Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate()
does not calculate chi2 value for clustered residues.
........
r26153 | tlinnet | 2014-10-06 02:39:48 +0200 (Mon, 06 Oct 2014) | 3 lines
Implemented looping over spin-clusters when issuing a minimise.calculate().
Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate()
does not calculate chi2 value for clustered residues.
........
r26154 | tlinnet | 2014-10-06 02:39:50 +0200 (Mon, 06 Oct 2014) | 3 lines
Made back_calc_r2eff() in optimisation module use the spin and id list
instead.
Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate()
does not calculate chi2 value for clustered residues.
........
r26155 | tlinnet | 2014-10-06 02:39:51 +0200 (Mon, 06 Oct 2014) | 3 lines
Fix for graph plotting functionality to send spins as list of one spins.
Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate()
does not calculate chi2 value for clustered residues.
........
r26156 | tlinnet | 2014-10-06 02:39:53 +0200 (Mon, 06 Oct 2014) | 3 lines
Fix for calling back_calc_r2eff with the new argument keywords, and use
list of spin and spind ids.
Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate()
does not calculate chi2 value for clustered residues.
........
r26157 | tlinnet | 2014-10-06 02:39:55 +0200 (Mon, 06 Oct 2014) | 3 lines
Fix for synthetic script calling back_calc_r2eff() with old arguments and
to use list of spin containers and ids.
Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate()
does not calculate chi2 value for clustered residues.
........
r26158 | tlinnet | 2014-10-06 02:45:16 +0200 (Mon, 06 Oct 2014) | 3 lines
Inserted last test in test_dx_map_clustered, to check out the written chi2
values are as expected.
Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate()
does not calculate chi2 value for clustered residues.
........
r26159 | tlinnet | 2014-10-06 05:19:08 +0200 (Mon, 06 Oct 2014) | 3 lines
Moved the looping over cluster spin ids into its own function in the API.
Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate()
does not calculate chi2 value for clustered residues.
........
r26160 | tlinnet | 2014-10-06 05:19:11 +0200 (Mon, 06 Oct 2014) | 3 lines
Added the selection string for all the cluster ids to be parsed back as
well.
Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate()
does not calculate chi2 value for clustered residues.
........
r26161 | tlinnet | 2014-10-06 05:19:13 +0200 (Mon, 06 Oct 2014) | 3 lines
Made the value set function, set values to all spins, if it is a global
parameter.
Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate()
does not calculate chi2 value for clustered residues.
........
r26162 | tlinnet | 2014-10-06 05:19:15 +0200 (Mon, 06 Oct 2014) | 3 lines
Moved teh skipping of protons away from looping function.
Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate()
does not calculate chi2 value for clustered residues.
........
r26163 | tlinnet | 2014-10-06 05:50:02 +0200 (Mon, 06 Oct 2014) | 7 lines
Inserted some testing lines for making a dx_map, either global clustered or
as a free spin.
There is a big difference which dx map you get.
It illustrates beautiful, the effect of clustering things together.
Bug #22754 (https://gna.org/bugs/index.php?22754): The minimise.calculate()
does not calculate chi2 value for clustered residues.
........
Modified:
branches/frame_order_cleanup/ (props changed)
branches/frame_order_cleanup/specific_analyses/relax_disp/api.py
branches/frame_order_cleanup/specific_analyses/relax_disp/data.py
branches/frame_order_cleanup/specific_analyses/relax_disp/optimisation.py
branches/frame_order_cleanup/test_suite/system_tests/relax_disp.py
branches/frame_order_cleanup/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: branches/frame_order_cleanup/specific_analyses/relax_disp/api.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/relax_disp/api.py?rev=26182&r1=26181&r2=26182&view=diff
Modified: branches/frame_order_cleanup/specific_analyses/relax_disp/data.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/relax_disp/data.py?rev=26182&r1=26181&r2=26182&view=diff
Modified:
branches/frame_order_cleanup/specific_analyses/relax_disp/optimisation.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/relax_disp/optimisation.py?rev=26182&r1=26181&r2=26182&view=diff
Modified: branches/frame_order_cleanup/test_suite/system_tests/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/relax_disp.py?rev=26182&r1=26181&r2=26182&view=diff
Modified:
branches/frame_order_cleanup/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/scripts/relax_disp/cpmg_synthetic.py?rev=26182&r1=26181&r2=26182&view=diff
r26182 - in /branches/frame_order_cleanup: ./ specific_analyses/relax_disp/ test_suite/system_tests/ test_suite/system_tests...