relax SVN archive

Inluded the Farrow et al., 1995 reference for the reduced spectral density mapping.

See the post at https://mail.gna.org/public/relax-users/2006-11/msg00019.html (Message-id:
<7f080ed10611292134te556ee5yaed8241fe8888dfd@...>) for more details.

Ported r2893 to r2897 from the 1.3 line.

The command used was:
svn merge -r2892:2897 svn+ssh://bugman@.../svn/relax/1.3

This includes a number of bug fixes:
Bug #7755 (https://gna.org/bugs/?7755).
Bug #7890 (https://gna.org/bugs/?7890).
Bug #7891 (https://gna.org/bugs/?7891).

The revisions also include a print out when spin systems are eliminated through the 'eliminate()'
user function.

Removed a few debugging print statements.

Fix for bug #7891 (https://gna.org/bugs/index.php?7891).

The fix was to create the 'self.relax.data.res[run][i].heteronuc' and
'self.relax.data.res[run][i].proton' data structures when reading in the model-free results file.

Fix for bug #7890 (https://gna.org/bugs/index.php?7890).

The columnar results file reading function now turns the Monte Carlo simulation state off after
executing the 'self.relax.generic.monte_carlo.setup()' function.

Renamed the Numeric matrix 'select_sim' to 'all_select_sim'.

This matrix contains the Monte Carlo simulation selection status of all spin systems of all
simulations. Hence the name 'all_select_sim' has been chosen to differentiate it from the array
'select_sim' stored at 'self.relax.data.res[run]'.

Fix for bug #7755 (https://gna.org/bugs/?7755).

This bug was reported by Stephen Headey (https://gna.org/users/sjheadey).

The problem was that the select_sim array created by the columnar results reading function
'self.read_columnar_results()' in 'specific_fns/model_free.py' was one massive single array
containing all the selected simulation data of all spin systems of all simulations. Subsequently
this was then not being split up for each spin system. Hence the total number of simulations was
being set to the number of spin systems times the number of simulations. The select_sim array for
each spin system was also of the same length and contained the data for all spins.

The fix was to convert the 'select_sim' array being created by 'self.read_columnar_results()' into
a Numeric matrix. The first dimension corresponds to the simulation and the second corresponds to
the instance.

Added print out messages for when spin systems are being eliminated.

Ported r2891 from the 1.3 line.

The command used was:
svn merge -r2890:2891 svn+ssh://bugman@.../svn/relax/1.3

This fixes bug #7875 (https://gna.org/bugs/index.php?7875).

Fix for bug #7875 (https://gna.org/bugs/index.php?7875).

This bug was reported by Sebastien Morin (https://gna.org/users/semor).

The problem was that the 'model_selection()' user function was incorrectly copying the data into the
model selection run when the local tm global diffusion model was selected over the sphere, spheroid,
ellipsoid, etc. The local tm global diffusion model was being treated as a single spin system model
by the 'self.duplicate_data()' function of 'specific_fns/model_free.py' and hence only the data from
the first spin was being duplicated. By passing the 'global_data' flag in from the model selection
code, the data duplication function is now acting correctly.