Commit | Date | |
---|---|---|
[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 |