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Commit Date  
[r3076] by bugman

Extended the Grace plotting abilities to include series data such as relaxation exponential curves.

This patch includes a large number of changes. The 'grace.write()' user function docstring has been
updated and now includes the previously missing relaxation curve-fitting data type string matching
patterns.

In the module specific_fns.relax_fit the relaxation curve-fitting data type string matching patterns
have been updated to include the 'ave_intensities' series object (an array) and the 'relax_times'
series object. The 'self.return_grace_string()' method has been updated to include axes labels for
these objects. The 'self.return_value()' method of the specific_fns.base_class module has been
modified to check for data in 'self.relax.data' if the spin system specific data does not exist.

The relaxation curve-fitting sample script has been updated to create plots of the minimised
chi-squared value, the initial peak intensity, the relaxation rate, the average peak intensities,
and the normalised average peak intensities.

Plot normalisation is now supported for series-like data through the 'norm' argument to the
'grace.write()' user function. For relaxation curves, all plots will commence at the value of one.
This feature is useful for emphasising errors in the data sets.

2007-03-04 08:42:29 Tree
[r3075] by bugman

Updated the data model redesign planning document.

All discussions on the relax-devel mailing list (https://mail.gna.org/public/relax-devel/) should
now be included.

2007-03-04 08:24:21 Tree
[r3074] by bugman

Merging of the 'error_import' branch.

The command used was:
svn merge -r3035:3073 svn+ssh://bugman@.../svn/relax/branches/error_import

These changes include the ideas which were discussed in the thread starting at
https://mail.gna.org/public/relax-devel/2007-02/msg00003.html (Message-id:
<45DACFEA.7020108@...>). The full details are given in the post located at
https://mail.gna.org/public/relax-devel/2007-03/msg00000.html (Message-id:
<7f080ed10703012125m7e6dff3du21e49d888cad2c02@...>).

Two major changes have occurred - the removal of the usage of the __builtin__ module for storage of
'global' variables; and a slight redesign of the RelaxError and RelaxWarning systems. If you would
like to use a RelaxError or RelaxWarning, the corresponding class must now be imported.

2007-03-04 08:12:48 Tree
[r3073] by bugman

Updated the branch with the changes which have occurred in the 1.3 line.

The command used was:
svn merge -r3057:3058 svn+ssh://bugman@.../svn/relax/1.3

------------------------------------------------------------------------
r3058 | varioustoxins | 2007-02-28 20:32:06 +1100 (Wed, 28 Feb 2007) | 2 lines
Changed paths:
M /1.3/test_suite/unit_tests/unit_test_runner.py

added rudimentary command line and tests for direct paths to tests cases
------------------------------------------------------------------------

2007-03-04 08:01:50 Tree
[r3072] by bugman

Added import statements for the RelaxError and RelaxWarning systems to all the generic_fns modules.

2007-03-02 06:06:11 Tree
[r3071] by bugman

Added import statements for the RelaxError and RelaxWarning systems to all the dx modules.

2007-03-02 05:59:31 Tree
[r3070] by bugman

Added import statements for the RelaxError system to the maths_fns.mf module.

2007-03-02 05:57:25 Tree
[r3069] by bugman

Added import statements for the RelaxError and RelaxWarning systems to all the prompt modules.

2007-03-02 05:56:34 Tree
[r3068] by bugman

Added RelaxError imports to the sample scripts which use the error system.

2007-03-02 05:39:08 Tree
[r3067] by bugman

Added import statements for the RelaxError and RelaxWarning systems to all the specific_fns modules.

2007-03-02 05:36:27 Tree
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