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Commit [r17118]  Maximize  Restore  History

Merged revisions 17114-17116 via svnmerge from

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

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r17114 | bugman | 2012-07-02 11:14:28 +0200 (Mon, 02 Jul 2012) | 5 lines

Created a system test to replicate Romel Bobby's bug #19887.

This is the bug report at https://gna.org/bugs/?19887.
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r17115 | bugman | 2012-07-02 12:03:02 +0200 (Mon, 02 Jul 2012) | 11 lines

Partial fix for bug #19887 (https://gna.org/bugs/?19887).

The problem is that the number of peak height values was not the same for all spins!

The error message was being caused by the math_fns.relax_fit C object 'setup' function being feed in
incorrect values, causing relax to fail directly after the setup() call in
specific_fns.relax_fit.minimise(). The number of points was being taken from cdp.relax_times, but
in the Relax_fit.test_bug_19887_curvefit_fail system test, one of the 3 spins has 4 points rather
than 5. Now the correct number is sent into setup().
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r17116 | bugman | 2012-07-02 12:17:23 +0200 (Mon, 02 Jul 2012) | 6 lines

A final fix for bug #19887 (https://gna.org/bugs/?19887).

Now a RelaxError is raised if the number of peak intensities is not the same for all spins. This
occurs in the relaxation curve-fitting overfit_deselect() method.
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bugman 2012-07-02

changed /branches/interatomic
changed /branches/interatomic/specific_fns/relax_fit.py
changed /branches/interatomic/test_suite/system_tests/relax_fit.py
copied /trunk/test_suite/shared_data/peak_lists/bug_19887 -> /branches/interatomic/test_suite/shared_data/peak_lists/bug_19887
copied /trunk/test_suite/system_tests/scripts/curve_fitting/bug_19887_curvefit_fail.py -> /branches/interatomic/test_suite/system_tests/scripts/curve_fitting/bug_19887_curvefit_fail.py
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