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[r26156] by tlinnet

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.

2014-10-06 00:39:53 Tree
[r26155] by tlinnet

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.

2014-10-06 00:39:51 Tree
[r26154] by tlinnet

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.

2014-10-06 00:39:50 Tree
[r26153] by tlinnet

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.

2014-10-06 00:39:48 Tree
[r26152] by tlinnet

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.

2014-10-06 00:39:46 Tree
[r26151] by tlinnet

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.

2014-10-06 00:39:43 Tree
[r26150] by tlinnet

Fix for writing out point files, when only one point is used.

The code was testing for > 1 points to be present, before writing out point files.

Bug #22753 (https://gna.org/bugs/index.php?22753): dx.map does not work when only 1 point is used.

2014-10-05 20:22:38 Tree
[r26149] by tlinnet

Implemented systemtest Relax_disp.test_dx_map_clustered to cath the missing creation of a point file.

Bug #22753 (https://gna.org/bugs/index.php?22753): dx.map does not work when only 1 point is used.

2014-10-05 20:22:35 Tree
[r26148] by tlinnet

Removed the showing of Matplotlib figures in the test suite.

Task #7826 (https://gna.org/task/index.php?7826): Write an python class for the repeated analysis of dispersion data.

2014-10-03 16:34:35 Tree
[r26147] by tlinnet

Removed the systemtest Relax_disp.test_bmrb_sub_cpmg() to be tested in the test-suite.

This test will not be implemented, as it requires a large re-write of data structures.

task #7858 (https://gna.org/task/?7858): Make it possible to submit CPMG experiments for BMRB

2014-10-03 16:30:41 Tree
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