relax SVN archive

Added 10 more unit tests for the setting of model-free parameter values.

These tests check the default parameter values if the val arg is not supplied.

Bug fix for the ten unit tests of setting the model-free parameter values for a given spin.

Missing brackets!

Added 10 more unit tests for the setting of spin specific model-free parameter values.

These are simply the 10 previous tests but applied to all spins rather than a single selected spin.

Added 10 unit tests for the setting of spin specific model-free parameter values.

More changes to prepare the Value_base_class for unit tests.

Spin systems are now set up for the molecule.

Updated the main relax copyright notices (including those printed).

A few small changes to prepare the Value_base_class for unit tests.

Merged revisions 4241-4253 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

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r4241 | bugman | 2008-01-02 11:53:55 +0100 (Wed, 02 Jan 2008) | 5 lines

Bug fix in the generic_fns.value.set() function.

The diff_params variable is now called tensor_params.
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r4242 | bugman | 2008-01-02 11:56:41 +0100 (Wed, 02 Jan 2008) | 5 lines

Bug fix in the generic_fns.value.set() function.

The self.relax.generic data structure no longer exists.
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r4243 | bugman | 2008-01-02 12:22:57 +0100 (Wed, 02 Jan 2008) | 7 lines

Implemented the generic_fns.minimise.reset_min_stats() function using the new relax design.

This was copied from the old reset_min_stats() class method but has had a few significant changes
made to it. Now both the sequence specific and global min stats are reset all together by one call
to the function.
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r4244 | bugman | 2008-01-02 12:36:52 +0100 (Wed, 02 Jan 2008) | 5 lines

Bug fix for the value.set() user function.

Empty lists are now caught.
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r4245 | bugman | 2008-01-02 14:51:28 +0100 (Wed, 02 Jan 2008) | 5 lines

Updated the val arg unit test of the value.set() user function.

The unit test now properly checks the arg when a list is passed into it.
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r4246 | bugman | 2008-01-02 14:59:35 +0100 (Wed, 02 Jan 2008) | 6 lines

Updated the value.set() user function.

More comments were added to the code, and empty lists passed in as the param argument are now
checked for.
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r4247 | bugman | 2008-01-02 15:01:17 +0100 (Wed, 02 Jan 2008) | 5 lines

Bug fix for the val arg unit test of the value.set() user function.

An elif loop was incorrect.
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r4248 | bugman | 2008-01-02 15:09:46 +0100 (Wed, 02 Jan 2008) | 5 lines

Bug fix for the param arg unit test of the value.set() user function.

Lists are now properly checked.
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r4249 | bugman | 2008-01-02 15:14:37 +0100 (Wed, 02 Jan 2008) | 5 lines

Bug fix for the generic_fns.value.set() function.

The diff_values variable is now called tensor_values.
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r4250 | bugman | 2008-01-02 15:20:44 +0100 (Wed, 02 Jan 2008) | 3 lines

Fixes to the docstring of the generic_fns.diffusion_tensor.set() function.
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r4251 | bugman | 2008-01-02 15:25:43 +0100 (Wed, 02 Jan 2008) | 6 lines

Bug fix for the generic_fns.diffusion_tensor.set() function.

If no diffusion tensor exists, then a RelaxError is thrown when trying to set the parameters. It's
not possible to create a tensor from scratch as the tensor type is unknown.
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r4252 | bugman | 2008-01-02 15:27:23 +0100 (Wed, 02 Jan 2008) | 5 lines

Fixes to the docstring of the generic_fns.diffusion_tensor.set() function.

The fact that the function cannot be used to initialise a tensor is now stated.
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r4253 | bugman | 2008-01-02 16:11:16 +0100 (Wed, 02 Jan 2008) | 5 lines

Bug fix for the param arg unit test of the value.set() user function.

Lists of params with a single value are allowed!
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Bug fix for the param arg unit test of the value.set() user function.

Lists of params with a single value are allowed!

Fixes to the docstring of the generic_fns.diffusion_tensor.set() function.

The fact that the function cannot be used to initialise a tensor is now stated.