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Relax 3.2.1

112 bytes added, 14:43, 9 September 2014
User function HTML manual links.
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This is a major bugfix release which includes the equations for the [[B14]] and [[B14 full]] [[:Category:relaxation dispersion|relaxation dispersion]] models [Baldwin 2014] introduced with [[relax 2.2.0|relax version 3.2.0]], now being calculated correctly, the [[NS CPMG 2-site expanded]] model correctly handling edge cases where no exchange is expected, and the [http://www.nmr-relax.com/manual/structure_delete.html|structure.delete user function] correctly operating when multiple models are loaded into the data store.
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* Created the Structure.test_bug_22069_structure_delete_helix_attribute system test. This is to catch [https://gna.org/bugs/?22069 bug #22069, the failure of the structure.delete user function with "AttributeError: Internal instance has no attribute 'helices'"].
* Created the Structure.test_bug_22070_structure_superimpose_after_deletion system test. This is to catch [https://gna.org/bugs/?22070 bug #22070, the failure of the structure.superimpose user function after deleting atoms with structure.delete].
* Added some checks to the Structure.test_bug_22070_structure_superimpose_after_deletion system test. These tests reveal the real problem - that the atoms of the second model have not been removed by the [http://www.nmr-relax.com/manual/structure_delete.html structure.delete user function].
* Added git-svn support for the relax version information module. This allows the subversion revision number and repository URL to be displayed on program startup, so that it is stored in log files. This is very useful for debugging purposes.
* Improvements for the git-svn support in the relax version module. Python 3 is now correctly handled and the URL is properly extracted from the git repository.
* Fix for bug #22069 by only deleting helix and sheet data with structure.delete when it exists. This is [https://gna.org/bugs/?22069 bug #22069, the failure of the structure.delete user function with "AttributeError: Internal instance has no attribute 'helices'"].
* Fix for all edge case [[No Rex]] failures of the [[NS CPMG 2-site expanded]] model. This uses the no exchange checking idea, modified to function in the relax trunk, from http://article.gmane.org/gmane.science.nmr.relax.devel/5847. This is importantly on line 1 of the function. The recently introduced set of 7 unit tests comprehensively showing these failures now all pass.
* Important bug fix for the [http://www.nmr-relax.com/manual/structure_delete.html structure.delete user function ] when multiple models are present. This is to fix [https://gna.org/bugs/?22070 bug #22070, the failure of the structure.superimpose user function after deleting atoms with structure.delete]. The problem is that structure.delete was removing the atoms from the first model but none of the others. This is because it was using the structural object atom_loop() method to find the atoms to be deleted, but this method operates on the first model. So when the second model is reached, the atoms are already gone.
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