relax SVN archive

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.

Merged revisions 18279-18287 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r18279 | bugman | 2013-01-23 18:51:33 +0100 (Wed, 23 Jan 2013) | 3 lines

Simplified the parameter unpacking in the func_standard() N-state model target function.
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r18280 | bugman | 2013-01-23 21:08:23 +0100 (Wed, 23 Jan 2013) | 3 lines

Improved the comments in the _disassemble_param_vector() N-state model method.
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r18281 | bugman | 2013-01-23 21:09:49 +0100 (Wed, 23 Jan 2013) | 6 lines

Modified the populations.py N-state model system test script to better test optimisation.

The probability of the 2nd state has been slightly shifted to make sure the original value can be
found.
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r18282 | bugman | 2013-01-23 21:35:53 +0100 (Wed, 23 Jan 2013) | 5 lines

Bug fix for the N-state model Hessian d2func_standard() method.

An index variable name was incorrect causing the population model to fail with Newton optimisation.
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r18283 | bugman | 2013-01-23 21:38:05 +0100 (Wed, 23 Jan 2013) | 5 lines

Modified the metal_pos_opt.py N-state model system test script to demonstrate some failures.

This change also caught the bug fixed in r18282.
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r18284 | bugman | 2013-01-23 21:41:08 +0100 (Wed, 23 Jan 2013) | 3 lines

Improved the checks of the metal_pos_opt.py N-state model system test script.
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r18285 | bugman | 2013-01-23 22:12:42 +0100 (Wed, 23 Jan 2013) | 5 lines

Bug fixes for the _opt_uses_pcs() and _opt_uses_rdc() N-state model methods.

These now check that the populations are optimised as well.
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r18286 | bugman | 2013-01-23 22:14:19 +0100 (Wed, 23 Jan 2013) | 3 lines

Modified the metal_pos_opt.py N-state model system test script to catch yet another bug.
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r18287 | bugman | 2013-01-23 22:51:13 +0100 (Wed, 23 Jan 2013) | 6 lines

Fix for a bug caught by the N_state_model.test_metal_pos_opt system test.

The problem was that uninitalised probability arrays of None from cdp.probs was always sent into the
target function, whereas None should be sent in instead.
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Fix for a bug caught by the N_state_model.test_metal_pos_opt system test.

The problem was that uninitalised probability arrays of None from cdp.probs was always sent into the
target function, whereas None should be sent in instead.

Modified the metal_pos_opt.py N-state model system test script to catch yet another bug.

Bug fixes for the _opt_uses_pcs() and _opt_uses_rdc() N-state model methods.

These now check that the populations are optimised as well.

Improved the checks of the metal_pos_opt.py N-state model system test script.

Modified the metal_pos_opt.py N-state model system test script to demonstrate some failures.

This change also caught the bug fixed in r18282.

Bug fix for the N-state model Hessian d2func_standard() method.

An index variable name was incorrect causing the population model to fail with Newton optimisation.

Modified the populations.py N-state model system test script to better test optimisation.

The probability of the 2nd state has been slightly shifted to make sure the original value can be
found.

Improved the comments in the _disassemble_param_vector() N-state model method.