relax SVN archive

Merged revisions 25942-25945 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r25942 | bugman | 2014-09-22 09:59:35 +0200 (Mon, 22 Sep 2014) | 6 lines

Created the Structure.test_collapse_ensemble system test.

This is used to test a planned feature of the internal structural object. The collapse_ensemble()
method will be created to remove all but one model in the structural ensemble.
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r25943 | bugman | 2014-09-22 10:14:25 +0200 (Mon, 22 Sep 2014) | 5 lines

Fixes for the structure.add_atom user function to allow for list of lists for the atomic position.

This allows different coordinates to be supplied for each model.
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r25944 | bugman | 2014-09-22 10:16:35 +0200 (Mon, 22 Sep 2014) | 5 lines

Modified the Structure.test_collapse_ensemble system test to check the initial values.

This is for sanity reasons as the test coverage of the structure.add_atom user function is poor.
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r25945 | bugman | 2014-09-22 10:29:55 +0200 (Mon, 22 Sep 2014) | 5 lines

Implemented the internal structural object collapse_ensemble() method.

This allows the Structure.test_collapse_ensemble system test to pass.
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Implemented the internal structural object collapse_ensemble() method.

This allows the Structure.test_collapse_ensemble system test to pass.

Modified the Structure.test_collapse_ensemble system test to check the initial values.

This is for sanity reasons as the test coverage of the structure.add_atom user function is poor.

Fixes for the structure.add_atom user function to allow for list of lists for the atomic position.

This allows different coordinates to be supplied for each model.

Created the Structure.test_collapse_ensemble system test.

This is used to test a planned feature of the internal structural object. The collapse_ensemble()
method will be created to remove all but one model in the structural ensemble.

Merged revisions 25923-25925,25927-25928,25933,25938-25940 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r25923 | tlinnet | 2014-09-19 13:33:18 +0200 (Fri, 19 Sep 2014) | 3 lines

Implemented correlation plot of minimisation values.

Task #7826 (https://gna.org/task/index.php?7826): Write an python class for the repeated analysis of dispersion data.
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r25924 | bugman | 2014-09-19 17:24:51 +0200 (Fri, 19 Sep 2014) | 5 lines

Changed the missing package/module/software table in the test suite.

This is to allow all names to fit and to update the column titles for software packages.
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r25925 | bugman | 2014-09-19 17:38:48 +0200 (Fri, 19 Sep 2014) | 5 lines

Decreased the accuracy of a check in the Relax_disp.test_estimate_r2eff_err_auto system test.

This is to allow the test to pass on my Windows 7 VM.
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r25927 | bugman | 2014-09-19 18:29:51 +0200 (Fri, 19 Sep 2014) | 6 lines

Updated the frame order auto-analysis to call the new frame_order.simulate user function.

Although not implemented yet, this allows the user function to create the simulation PDB file in the
future.
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r25928 | bugman | 2014-09-19 18:32:38 +0200 (Fri, 19 Sep 2014) | 18 lines

Reverted r25927 as this should have been in the frame_order_cleanup branch, not the trunk!!!

The command used was:
svn merge -r25927:r25926 .

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r25927 | bugman | 2014-09-19 18:29:51 +0200 (Fri, 19 Sep 2014) | 6 lines
Changed paths:
M /trunk/auto_analyses/frame_order.py

Updated the frame order auto-analysis to call the new frame_order.simulate user function.

Although not implemented yet, this allows the user function to create the simulation PDB file in the
future.
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r25933 | bugman | 2014-09-20 10:15:36 +0200 (Sat, 20 Sep 2014) | 3 lines

Added Troels E. Linnet to the COMMITTERS file, which has not been updated in almost 3 years!
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r25938 | bugman | 2014-09-22 09:36:45 +0200 (Mon, 22 Sep 2014) | 6 lines

Created the Structure.test_get_model system test.

This demonstrates that the internal structural object get_model() method is not working as it
should.
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r25939 | bugman | 2014-09-22 09:39:29 +0200 (Mon, 22 Sep 2014) | 3 lines

Added a few more checks to the Structure.test_get_model system test.
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r25940 | bugman | 2014-09-22 09:40:11 +0200 (Mon, 22 Sep 2014) | 3 lines

Fix for the internal structural object get_model() method - it now actually returns the model.
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Fix for the internal structural object get_model() method - it now actually returns the model.

Added a few more checks to the Structure.test_get_model system test.

Created the Structure.test_get_model system test.

This demonstrates that the internal structural object get_model() method is not working as it
should.

Redirect for the init_data to reset user function renaming.