relax SVN archive

Fix for the frame order specific _minimise_setup_atomic_pos() method.

The spin ID is required from the spin loop for the warnings.

The correct chi2 value is now checked for the Frame_order.test_cam_free_rotor_missing_data system test.

Merged revisions 18437 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r18437 | bugman | 2013-02-07 16:49:20 +0100 (Thu, 07 Feb 2013) | 3 lines

Spacing fixes as identified by the Python 2to3 conversion program.
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Spacing fixes as identified by the Python 2to3 conversion program.

Modified the minimisation setup for the frame order analysis to better match the N-state model.

The N-state model code has been debugged a lot since it was copied and modified for the frame order
analysis, but those fixes have not been migrated to the frame order analysis. The fixes to
_minimise_setup_pcs() and _minimise_setup_rdcs() have now been migrated over. To help the data
checking, the _opt_uses_align_data(), _opt_uses_pcs() and _opt_uses_rdcs() methods have also been
ported over. Finally, a new check has been added to raise a RelaxError if no RDC or PCS data is
found.

In addition, the _minimise_setup_atomic_pos() has been created to decouple this from the PCS data
assembly (this also now matches the N-state model).

Merged revisions 18430,18432 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r18430 | bugman | 2013-02-06 12:09:38 +0100 (Wed, 06 Feb 2013) | 5 lines

The relax program introduction now includes the revision number for subversion checked out copied.

This allows for better identification of the code base being used.
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r18432 | bugman | 2013-02-07 13:53:50 +0100 (Thu, 07 Feb 2013) | 6 lines

Fixes for the Pcs.test_structural_noise system test.

As this is based on random functions, sometimes, though rarely, the test fails. Now the simulation
accuracy has been increased and the tests are less rigorous.
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Fix for the CaM frame order system tests - the RDC and PCS data was not being loaded.

This bug comes from the previous commit.

Created the Frame_order.test_cam_free_rotor_missing_data system test.

This test is designed to check the frame order theory implementation when RDC or PDC data (either
single data points or entire data sets) are missing.

Fixes for the Pcs.test_structural_noise system test.

As this is based on random functions, sometimes, though rarely, the test fails. Now the simulation
accuracy has been increased and the tests are less rigorous.

Docstring edit.