svn+ssh://bugman@.../svn/relax/branches/frame_order_cleanup
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r23208 | bugman | 2014-05-16 16:36:45 +0200 (Fri, 16 May 2014) | 7 lines
Updated the CaM frame order test model superimposition script.
The structure.superimpose user function is now correctly called. The output log file has been added
to the repository as it contains the correct translation and Euler rotation information needed for
the test models.
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r23209 | bugman | 2014-05-16 16:55:55 +0200 (Fri, 16 May 2014) | 6 lines
Parameter update for the isotropic cone CaM frame order test model optimisation script.
The Euler angles for the rotation about the motional pivot have been replaced by the translation
vector and Euler angle CoM rotation parameters.
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r23210 | bugman | 2014-05-17 18:03:44 +0200 (Sat, 17 May 2014) | 1 line
Removed an unused import and an extra blank line.
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r23211 | bugman | 2014-05-17 18:03:46 +0200 (Sat, 17 May 2014) | 5 lines
Fix for a number of the frame order models which do not have parameter constraints.
The linear_constraint() function was returning A, b = [], [] for these models, but these empty numpy
arrays were causing the minfx library (https://gna.org/projects/minfx/) to fail. These values are
now caught and the constraint algorithm turned off in the minimise() specific API method.
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