relax SVN archive

Modified the dispersion auto-analysis to check if peak intensity errors have been pre-calculated.

This allows the user to perform custom analyses and the auto-analysis will then not overwrite these
values.

Created a relax script for analysing Remco Sprangers' ClpP data with the 'MQ NS 2-site' model.

This currently does not work, as the model is absent.

Concatenated the peak intensity files.

Added Remco Spranger's truncated ClpP data to test_suite/shared_data/dispersion/Spranger_ClpP.

This is the data attached to https://gna.org/task/?7712#comment6, and it will be used for testing
the implementation of the 'MQ NS 2-site' model, when added to relax.

Created a set of scripts for testing out the multi-processor abilities of the dispersion analysis.

Merged revisions 21015 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r21015 | bugman | 2013-10-07 21:54:45 +0200 (Mon, 07 Oct 2013) | 8 lines

Fix for the Monte Carlo simulation parallisation.

The processor.run_queue() method needs to be executed for all the optimisation user function of
relax (at the end of both the grid_search() and the calc() functions). Otherwise when removing the
processor.run_queue() call from the specific_analyses code results in a failure of the grid search
or back-calculation to be run until the minimise() user function call, which will be too late.
........

Fix for the Monte Carlo simulation parallisation.

The processor.run_queue() method needs to be executed for all the optimisation user function of
relax (at the end of both the grid_search() and the calc() functions). Otherwise when removing the
processor.run_queue() call from the specific_analyses code results in a failure of the grid search
or back-calculation to be run until the minimise() user function call, which will be too late.

Enabled the parallelisation of Monte Carlo simulations for the relaxation dispersion analysis.

Merged revisions 21012 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r21012 | bugman | 2013-10-07 21:13:45 +0200 (Mon, 07 Oct 2013) | 9 lines

Added multi-processor support for Monte Carlo simulations.

This simply involves accessing the multi-processor box singleton and running the
processor.run_queue() method within the pipe_control.minimise.minimise() function. This currently
does nothing as the processor queue is always empty. But if the code in the specific_analyses
package is modified to add slave commands to the processor but not execute the run_queue() method,
then the Monte Carlo simulations will be automatically parallelised.
........

Added multi-processor support for Monte Carlo simulations.

This simply involves accessing the multi-processor box singleton and running the
processor.run_queue() method within the pipe_control.minimise.minimise() function. This currently
does nothing as the processor queue is always empty. But if the code in the specific_analyses
package is modified to add slave commands to the processor but not execute the run_queue() method,
then the Monte Carlo simulations will be automatically parallelised.