relax SVN archive

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.

Changed the precision of the deactivated Frame_order.test_cam_double_rotor_pcs system test.

This test will run with the command "relax -s Frame_order.test_cam_double_rotor_pcs" and, because of
the small angle of the test model, the chi-squared value differences for just the PCS were too small
for the previous precision of 1 decimal place.

Merged revisions 22097,22108 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r22097 | bugman | 2014-01-31 12:14:57 +0100 (Fri, 31 Jan 2014) | 6 lines

Backported the relax 3.1.4 CHANGES file addition to trunk.

The command used was:
svn merge -r22095:22096 svn+ssh://bugman@.../svn/relax/tags/3.1.4 .
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r22108 | bugman | 2014-02-03 11:39:51 +0100 (Mon, 03 Feb 2014) | 6 lines

Updated the interatom.unit_vectors user function description to add the text '3D structure'.

This is in response to the http://thread.gmane.org/gmane.science.nmr.relax.user/1547 relax-users
mailing list message and the change is to clarify the usage of the user function.
........

Removal of unused imports from the lib.frame_order.double_rotor module.

Fix for the double rotor frame order model when only RDCs are used.

The target function was not being aliased when no PCS data was present.

Initial implementation of the lib.frame_order.double_rotor module.

This module implements the functions needed to solve the frame order analysis for the RDC (via the
frame order matrix) and PCS (numerically). The interfaces have been updated for the double rotor
but most of the code still implements the basic rotor model from which it derives.

Copyright notice update.

Updated the interatom.unit_vectors user function description to add the text '3D structure'.

This is in response to the http://thread.gmane.org/gmane.science.nmr.relax.user/1547 relax-users
mailing list message and the change is to clarify the usage of the user function.

Initial implementation of the double rotor frame order model target function.

The target function func_double_rotor() has been created as a copy of the func_rotor_qrint() method,
modified for the double rotor model. Modifications will likely be needed as the
compile_2nd_matrix_double_rotor() and pcs_numeric_int_double_rotor() functions are implemented.

Better support for the parameters of the double rotor frame order model.