relax SVN archive

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.

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.

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.

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.

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.

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.

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.

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.

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

Inserted a "RelaxImplementError" when trying to call bmrb_write from a relaxation dispersion analysis.

To implement the fucntion, it would require a re-write of the relax_data bmrb_write(star) function, and proper handling of cdp.ri_ids.
It was also not readily possible to find examples of submitted CPMG data in the BMRB database.
This makes it hard to develop, and even ensure that BMRB would accept the format.

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