Commit | Date | |
---|---|---|
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 |
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 |
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 |
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 |