relax SVN archive

Another fix for bug #21309, the 'R2eff' dispersion model failure when peak intensity data is missing.

The bug is reported at https://gna.org/bugs/?21309.

This second problem is only for the numeric CPMG models for when all data at one magnetic field
strength is missing. When the relaxation dispersion target function is being set up, the creation
of the self.power data structure holding the number of CPMG blocks fails. The problem is that the
relaxation time for the missing field strength is set to NaN. This is now caught using
lib.float.isNaN().

Modified the Relax_disp.test_hansen_cpmg_data_missing_auto_analysis system test to catch another failure.

This is the failure of all numeric models when all data from one magnetic field strength is missing
for a spin.

Added a Gaussian DFT optimisation log file to the shared data directories.

This will be used to test the reading of structural data from Gaussian files.

Fix for a typo in a model name in the cpmg_analysis.py relaxation dispersion sample script.

The lib.dispersion.cr72.r2eff_CR72() function is now more robust.

Values less than 1.0 are now caught to avoid passing it into the numpy.arccosh() function. This
avoids many warning messages on Mac OS X.

Expansion and fixes for the Relax_disp.test_hansen_cpmg_data_missing_auto_analysis system test.

The parameters for spin :4 are now being checked, and all the checks updated for the changed data.
The parameter values are slightly different as data is now missing and because only 3 spins are used
for the error analysis whereas in all other Hansen CPMG data sets the more accurate errors are from
all spins.

Fix for bug #21309, the 'R2eff' dispersion model failure when peak intensity data is missing.

The bug is reported at https://gna.org/bugs/?21309.

The problem was that the check for missing data in the _calculate_r2eff() private API method was
accidentally deleted in r21505 in the relax_disp branch. See the commit at
http://article.gmane.org/gmane.science.nmr.relax.scm/19261 and the accidental deletion at
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/api.py?view=diff&r1=21504&r2=21505&pathrev=21505.

Created the Relax_disp.test_hansen_cpmg_data_missing_auto_analysis system test.

This is used to demonstrate a failure in the 'R2eff' model when some data is missing.

Created a base data pipe for Flemming Hansen's truncated CPMG data for testing out missing data.

The :4 spin is missing just a few data points, whereas the :71 spin is missing all 800 MHz data.

Synchronised the test_suite/shared_data/dispersion/Hansen/relax_disp.py with the sample script.

This script now matches very closely with the sample_scripts/relax_disp/cpmg_analysis.py sample
script. This is for sample script debugging purposes.