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Commit Date  
[r7959] by bugman

Destroyed assign_func() and shifted all the data storage back to generic_fns.spectrum.read().

2008-10-23 16:32:08 Tree
[r7958] by bugman

The peak list type is now automatically determined.

The new autodetect_format() function was written, and the top half of the read() function was
modified to handle the auto-detection.

2008-10-23 16:23:42 Tree
[r7957] by bugman

Fixed the args and docstring for the generic_fns.spectrum.read() function.

2008-10-23 16:10:59 Tree
[r7956] by bugman

Updated the relax_fit.py sample script to match the changes of r7954 to the system test script.

The script now uses the new spectrum user function class.

2008-10-23 16:01:58 Tree
[r7955] by bugman

Expanded the relax_fit.py system test script to include the creation of a number of files.

These include files of Rx values, the results file, grace files, and the saved state file.

2008-10-23 15:59:19 Tree
[r7954] by bugman

Updated the relax_fit.py system test script for the new spectrum user function class.

2008-10-23 15:58:15 Tree
[r7953] by bugman

Fix for the initial spectrum.read_intensities() print out, the int_method arg was not being shown.

2008-10-23 15:56:58 Tree
[r7952] by bugman

Fix for bug #12487 (https://gna.org/bugs/index.php?12487).

This bug was reported by Tyler Reddy (TREDDY at dal dot ca).

The problem was that missing XH bond vector data was being manifested as the spin.xh_vect object
being set to None. The overfit_deselect() function which is responsible for deselecting unsuitable
spins prior to optimisation was only checking if the object existed, not if it was None!

2008-10-23 15:39:25 Tree
[r7951] by bugman

Created a new noe user function class, unrelated to the previously deleted one.

This contains the single user function, noe.spectrum_type().

2008-10-23 15:15:19 Tree
[r7950] by bugman

Added module docstrings and __docformat__ variables to the 'spectrum' prompt module.

2008-10-23 15:09:03 Tree
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