relax SVN archive

Both Q-factors are now being calculated.

Changed the way the Q-factor is calculated.

The Q-factor is now calculated as Clore's R-factor divided by N. This now matches the Pales default
mode.

Merged revisions 8893-8898 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

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r8893 | bugman | 2009-02-27 18:58:24 +0100 (Fri, 27 Feb 2009) | 3 lines

The diagonalised alignment tensor is now being created (and is being done correctly).
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r8894 | bugman | 2009-03-02 17:26:48 +0100 (Mon, 02 Mar 2009) | 5 lines

Fix for the calc_tensor_diag() function.

The algorithm for finding Ayy was broken.
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r8895 | bugman | 2009-03-02 17:34:06 +0100 (Mon, 02 Mar 2009) | 5 lines

Fix for the test_name_argfail_mol_id() unit test.

The mol_id can be None, i.e. for naming unnamed molecules.
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r8896 | bugman | 2009-03-02 17:35:33 +0100 (Mon, 02 Mar 2009) | 3 lines

Fixed the check for None in molecule.name().
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r8897 | bugman | 2009-03-02 17:42:04 +0100 (Mon, 02 Mar 2009) | 5 lines

Allowed the spin_num arg of spin.create() to be None.

This is useful for polymers where the name is important rather than number.
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r8898 | bugman | 2009-03-04 10:32:28 +0100 (Wed, 04 Mar 2009) | 3 lines

Fix for the test_create_argfail_spin_num() unit test.
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Fix for the test_create_argfail_spin_num() unit test.

Allowed the spin_num arg of spin.create() to be None.

This is useful for polymers where the name is important rather than number.

Fixed the check for None in molecule.name().

Fix for the test_name_argfail_mol_id() unit test.

The mol_id can be None, i.e. for naming unnamed molecules.

Fix for the calc_tensor_diag() function.

The algorithm for finding Ayy was broken.

The diagonalised alignment tensor is now being created (and is being done correctly).

The EntityCompIndex saveframe is now being created.