relax SVN archive

svn+ssh://bugman@.../svn/relax/trunk

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r18289 | bugman | 2013-01-24 10:02:33 +0100 (Thu, 24 Jan 2013) | 5 lines

Added Monte Carlo simulations to the align_fit.py N-state model system test script.

This is to increase the very low coverage of Monte Carlo simulation testing for the N-state model.
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r18290 | bugman | 2013-01-24 10:56:29 +0100 (Thu, 24 Jan 2013) | 6 lines

Modified the metal_pos_opt.py N-state model system test script to test the bootstrapping code path.

This converts the Monte Carlo simulations into bootstrapping to make sure this method also
functions correctly.
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r18291 | bugman | 2013-01-24 10:57:51 +0100 (Thu, 24 Jan 2013) | 5 lines

Implemented the N-state model specific return_data() method.

This is needed for bootstrapping.
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r18292 | bugman | 2013-01-24 11:05:38 +0100 (Thu, 24 Jan 2013) | 3 lines

Fixes for the N-state model return_data() method.
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r18293 | bugman | 2013-01-24 11:22:02 +0100 (Thu, 24 Jan 2013) | 5 lines

Modified the RelaxNoRDCError and RelaxNoPCSError to accept no alignment ID.

This is then used to indicate the complete absence of data.
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r18294 | bugman | 2013-01-24 11:23:12 +0100 (Thu, 24 Jan 2013) | 5 lines

Modified the initial testing of the rdc.set_errors and pcs.set_errors user functions.

This is to better indicate to the user what the problem is and why the user function cannot operate.
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r18295 | bugman | 2013-01-24 11:25:17 +0100 (Thu, 24 Jan 2013) | 7 lines

Fixes for the align_fit.py N-state model system test script.

The recently introduced Monte Carlo simulations and associated RDC and PCS error setting was failing
when RDC or PCS data was missing. The script now checks the mode of operation and only sets errors
if the corresponding data is present.
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