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SVN archive Commit Log


Commit Date  
[r18583] by bugman

Shifted the ensemble pivot finding target function into the maths_fns package.

2013-03-01 14:19:35 Tree
[r18582] by bugman

The structure.find_pivot user function now accepts the func_tol argument.

This is used to terminate the simplex optimisation when this function tolerance value is reached.

2013-03-01 13:05:26 Tree
[r18581] by bugman

Created the Structure.test_web_of_motion_13 system test.

This was just to be sure that the models argument was correctly handled by the structure.web_of_motion
user function.

2013-02-27 19:40:05 Tree
[r18580] by bugman

Fixes for the Structure.test_web_of_motion_12 system test.

The PDB output was not compared to the correct results.

2013-02-27 19:37:51 Tree
[r18579] by bugman

Implemented the models argument for the structure.web_of_motion user function.

This was previously not being used and was caught by the Structure.test_web_of_motion_12 system
test.

2013-02-27 19:37:06 Tree
[r18578] by bugman

Created the Structure.test_web_of_motion_12 system test to show how model sets are currently ignored.

2013-02-27 19:23:31 Tree
[r18577] by bugman

Small fixes for the Structure.test_web_of_motion_all system test.

2013-02-27 19:20:50 Tree
[r18576] by bugman

The structure.web_of_motion user function can now handle file objects as well as file names as input.

2013-02-27 19:18:51 Tree
[r18575] by bugman

Created the Structure.test_web_of_motion_all system test.

This is to check the new structure.web_of_motion user function.

2013-02-27 19:10:47 Tree
[r18574] by bugman

A new PDB file with 3 models and a few atoms for testing of the structure.web_of_motion user function.

2013-02-27 18:58:36 Tree
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