relax SVN archive

Merged revisions 18471 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r18471 | bugman | 2013-02-14 13:30:02 +0100 (Thu, 14 Feb 2013) | 3 lines

Fix for the new 'mol_name_target' argument for the structure.load_spins user function - it can be None.
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Fix for the new 'mol_name_target' argument for the structure.load_spins user function - it can be None.

Fix for the CaM frame order test data optimisation script.

Clean up of the _minimise_setup_rdcs() frame order specific method.

The logic for exacting the unit vectors was incorrect, but nevertheless worked. This just cleans up
the broken logic to avoid bugs.

Fix for the _minimise_setup_atomic_pos() frame order specific method.

The single atomic positions are now properly detected. Previously these were incorrectly detected
to be multiple atomic positions.

Fix for the faulty svnmerge changes of the previous commit.

Merged revisions 18462-18465 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r18462 | bugman | 2013-02-13 16:05:19 +0100 (Wed, 13 Feb 2013) | 3 lines

Created the Mol_res_spin.test_metadata_molecule_rename system test to demonstrate a spin ID metadata bug.
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r18463 | bugman | 2013-02-13 16:25:36 +0100 (Wed, 13 Feb 2013) | 14 lines

Reverted r18462 as the Mol_res_spin.test_metadata_molecule_rename system test logic is rubbish.

The command used was:
svn merge -r18462:r18461 .

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r18462 | bugman | 2013-02-13 16:05:19 +0100 (Wed, 13 Feb 2013) | 3 lines
Changed paths:
M /trunk/test_suite/system_tests/mol_res_spin.py

Created the Mol_res_spin.test_metadata_molecule_rename system test to demonstrate a spin ID metadata bug.
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r18464 | bugman | 2013-02-13 16:41:21 +0100 (Wed, 13 Feb 2013) | 6 lines

Created the Structure.test_load_spins_mol_cat system test.

This will be used to test a new 'mol_name_target' argument to the structure.load_spins user
function.
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r18465 | bugman | 2013-02-13 16:42:50 +0100 (Wed, 13 Feb 2013) | 6 lines

Added the mol_name_target argument to the structure.load_spins user function.

This allows spins from different molecules to be placed together in the same molecule container in
the relax data store.
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Added the mol_name_target argument to the structure.load_spins user function.

This allows spins from different molecules to be placed together in the same molecule container in
the relax data store.

Created the Structure.test_load_spins_mol_cat system test.

This will be used to test a new 'mol_name_target' argument to the structure.load_spins user
function.

Reverted r18462 as the Mol_res_spin.test_metadata_molecule_rename system test logic is rubbish.

The command used was:
svn merge -r18462:r18461 .

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r18462 | bugman | 2013-02-13 16:05:19 +0100 (Wed, 13 Feb 2013) | 3 lines
Changed paths:
M /trunk/test_suite/system_tests/mol_res_spin.py

Created the Mol_res_spin.test_metadata_molecule_rename system test to demonstrate a spin ID metadata bug.
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