relax SVN archive

Added Monte Carlo simulation support for the paramagnetic centre for PCSs in the N-state model.

As the paramagnetic centre position can be optimised, including in Monte Carlo simulations, then it
makes sense to add this support.

The N_state_model.test_frame_order_align_fit system test is now skipped if the scipy module is not installed.

Merged revisions 18236 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r18236 | bugman | 2013-01-18 21:14:02 +0100 (Fri, 18 Jan 2013) | 3 lines

Python 3 fix for the Pcs.test_grace_plot system test.
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Added a backwards compatibility hook for converting alignment tensors.

The main trunk alignment tensors as associated with alignment IDs by having the same name, but in
this branch there can be multiple tensors per alignment, hence each tensor has an associated ID in
addition to the name. The hook duplicates the tensor name into the alignment ID string.

Reverted r18237 as the fix was no correct!

The command used was:
svn merge -r18237:18236 .

Bug fixes for the N-state model for the changes of the frame order testing branch.

Python 3 fix for the Pcs.test_grace_plot system test.

Merged revisions 18224-18234 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r18224 | bugman | 2013-01-18 14:19:34 +0100 (Fri, 18 Jan 2013) | 3 lines

The Pipes.test_change_type system test is skipped if the required scipy module is not installed.
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r18225 | bugman | 2013-01-18 14:20:36 +0100 (Fri, 18 Jan 2013) | 5 lines

Python 3 fix for the new pcs.structural_noise user function.

There was a string/unicode problem in the Grace plot creation code.
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r18226 | bugman | 2013-01-18 16:10:14 +0100 (Fri, 18 Jan 2013) | 6 lines

Created the Pcs.test_load_multi_col_data system test to demonstrate a failure of PCS data loading.

This is a problem when 15N data is in one column and 1H data is in another, and the spin_id argument
is used to specify which is which.
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r18227 | bugman | 2013-01-18 16:17:44 +0100 (Fri, 18 Jan 2013) | 3 lines

Added some printouts to the Pcs.test_load_multi_col_data system test.
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r18228 | bugman | 2013-01-18 16:44:15 +0100 (Fri, 18 Jan 2013) | 5 lines

Bug fix for the loading of PCS data from a file with different spin types in different columns.

This was caught by the Pcs.test_load_multi_col_data system test which now passes.
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r18229 | bugman | 2013-01-18 17:01:52 +0100 (Fri, 18 Jan 2013) | 3 lines

Created the Pcs.test_grace_plot system test to check the pcs.corr_plot user function.
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r18230 | bugman | 2013-01-18 17:39:09 +0100 (Fri, 18 Jan 2013) | 6 lines

Created the Pcs.test_load_multi_col_data2 system test to catch a bug with the molecule name.

This is the same as the Pcs.test_load_multi_col_data system test but the spins have the molecule
name set.
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r18231 | bugman | 2013-01-18 17:50:16 +0100 (Fri, 18 Jan 2013) | 5 lines

Created the Mol_res_spin.test_prune_metadata system test to catch a bug in the spin ID lookup table.

Spin IDs appear not to be correctly removed from the lookup table.
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r18232 | bugman | 2013-01-18 17:58:27 +0100 (Fri, 18 Jan 2013) | 5 lines

Bug fix for generic_fns.mol_res_spin.metadata_prune().

Non-unique molecules and residues are now removed from the spin ID lookup table.
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r18233 | bugman | 2013-01-18 18:05:41 +0100 (Fri, 18 Jan 2013) | 3 lines

Added some more checks to the Mol_res_spin.test_prune_metadata system test to demonstrate more bugs.
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r18234 | bugman | 2013-01-18 18:19:03 +0100 (Fri, 18 Jan 2013) | 7 lines

Proper bug fix for the spin ID metadata lookup table pruning.

The Mol_res_spin.test_prune_metadata system test now passes. The previous fix of r18232 was not
complete, and it should have been in the spin_id_variants_elim() function rather than
metadata_prune().
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Proper bug fix for the spin ID metadata lookup table pruning.

The Mol_res_spin.test_prune_metadata system test now passes. The previous fix of r18232 was not
complete, and it should have been in the spin_id_variants_elim() function rather than
metadata_prune().

Added some more checks to the Mol_res_spin.test_prune_metadata system test to demonstrate more bugs.