relax SVN archive

Updated the CHANGES file for relax 3.1.5.

relax version 3.1.5.

This is a major bugfix release which fixes the complete failure of the NOE analysis for most users,
a bug introduced in the last relax release (https://gna.org/forum/forum.php?forum_id=2433). All
users of relax 3.1.4 should upgrade to this version.

Merged revisions 22118 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r22118 | bugman | 2014-02-04 15:47:21 +0100 (Tue, 04 Feb 2014) | 3 lines

Fix for the number precision in the Noe.test_bug_21591_noe_calculation_fail system test.
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Merged revisions 22117 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r22117 | bugman | 2014-02-04 15:46:47 +0100 (Tue, 04 Feb 2014) | 9 lines

Fix for bug #21591 (https://gna.org/bugs/?21591), the complete failure of the NOE analysis.

This bug was reported by Martin Ballaschk (https://gna.org/users/mab).

The issue was introduced in the fix for bug #21562 (https://gna.org/bugs/?21562). The problem is
that the overfit_deselect() method was deselecting all spins with two data points or less rather
than one or less.
........

Merged revisions 22116 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r22116 | bugman | 2014-02-04 15:43:10 +0100 (Tue, 04 Feb 2014) | 11 lines

Improvements for the steady-state NOE analysis overfit_deselect() method.

The spin deselection which occurs at the start of the calc user function call, used to calculate the
NOE, is now clearer. Each deselection condition is now explained in detail and the text is now far
more informative.

In addition, the special condition of all spins being deselected is now caught. If this happens, a
RelaxError is raised to prevent the user from going forwards. This should remove confusion as to
why the output file is empty.
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Merged revisions 22115 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r22115 | bugman | 2014-02-04 15:29:24 +0100 (Tue, 04 Feb 2014) | 9 lines

Created the Noe.test_bug_21591_noe_calculation_fail system test.

This is to catch bug #21591 (https://gna.org/bugs/?21591) submitted by Martin Ballaschk
(https://gna.org/users/mab). This is the complete failure of the NOE analysis.

The peak lists attached to the bug report have been included in the test suite to create the system
test.
........

Fix for the number precision in the Noe.test_bug_21591_noe_calculation_fail system test.

Fix for bug #21591 (https://gna.org/bugs/?21591), the complete failure of the NOE analysis.

This bug was reported by Martin Ballaschk (https://gna.org/users/mab).

The issue was introduced in the fix for bug #21562 (https://gna.org/bugs/?21562). The problem is
that the overfit_deselect() method was deselecting all spins with two data points or less rather
than one or less.

Improvements for the steady-state NOE analysis overfit_deselect() method.

The spin deselection which occurs at the start of the calc user function call, used to calculate the
NOE, is now clearer. Each deselection condition is now explained in detail and the text is now far
more informative.

In addition, the special condition of all spins being deselected is now caught. If this happens, a
RelaxError is raised to prevent the user from going forwards. This should remove confusion as to
why the output file is empty.

Created the Noe.test_bug_21591_noe_calculation_fail system test.

This is to catch bug #21591 (https://gna.org/bugs/?21591) submitted by Martin Ballaschk
(https://gna.org/users/mab). This is the complete failure of the NOE analysis.

The peak lists attached to the bug report have been included in the test suite to create the system
test.