relax SVN archive

Modified profiling script to have different number of NCYC points per frequency.

This is to complicate the data, so any errournous reshaping of data is discovered.
It is expected, that experiments can have different number of NCYC points per spectrometer frequency.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Merged revisions 23720 via svnmerge from
svn+ssh://tlinnet@.../svn/relax/trunk

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r23720 | tlinnet | 2014-06-06 22:03:27 +0200 (Fri, 06 Jun 2014) | 5 lines

Modified profiling script, to get closer to the implementation in relax.

An additional test function is setup to figure out how to reshape the numpy arrays in the target function.

bug #22146: (https://gna.org/bugs/?22146) Unpacking of R2A and R2B is performed wrong for clustered "full" dispersion models.
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Modified profiling script, to get closer to the implementation in relax.

An additional test function is setup to figure out how to reshape the numpy arrays in the target function.

bug #22146: (https://gna.org/bugs/?22146) Unpacking of R2A and R2B is performed wrong for clustered "full" dispersion models.

Initialized merge tracking via "svnmerge" with revisions "1-23717" from
svn+ssh://tlinnet@.../svn/relax/trunk

This is a branch created for Task 7807, Speed-up of dispersion models for Clustered analysis.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Removed a PDB file from the 2nd rotor CaM frame order test data directory.

This is now present as a *.gz file, so the uncompressed file can go.

Merged revisions 23715 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r23715 | tlinnet | 2014-06-06 18:11:33 +0200 (Fri, 06 Jun 2014) | 12 lines

Split systemtest Relax_disp.test_bug_22146_unpacking_r2a_r2b_cluster up in different tests.

A setup function which is:
setup_bug_22146_unpacking_r2a_r2b_cluster(self, folder=None, model_analyse=None):

And then the tests:
test_bug_22146_unpacking_r2a_r2b_cluster_B14
test_bug_22146_unpacking_r2a_r2b_cluster_CR72
test_bug_22146_unpacking_r2a_r2b_cluster_NS_3D
test_bug_22146_unpacking_r2a_r2b_cluster_NS_STAR

bug #22146: (https://gna.org/bugs/?22146) Unpacking of R2A and R2B is performed wrong for clustered "full" dispersion models.
........

Split systemtest Relax_disp.test_bug_22146_unpacking_r2a_r2b_cluster up in different tests.

A setup function which is:
setup_bug_22146_unpacking_r2a_r2b_cluster(self, folder=None, model_analyse=None):

And then the tests:
test_bug_22146_unpacking_r2a_r2b_cluster_B14
test_bug_22146_unpacking_r2a_r2b_cluster_CR72
test_bug_22146_unpacking_r2a_r2b_cluster_NS_3D
test_bug_22146_unpacking_r2a_r2b_cluster_NS_STAR

bug #22146: (https://gna.org/bugs/?22146) Unpacking of R2A and R2B is performed wrong for clustered "full" dispersion models.

Removed some files from the 2nd rotor CaM frame order test data directory.

These are now present as *.gz files, so the uncompressed files can go.

Added the full optimisation results for the small angle rotor CaM frame order test data.

This is from the new frame_order.py optimisation script and the results demonstrate the stability of
the rotor model, even when the rotor is as small as 1 degree.