Commit | Date | |
---|---|---|
2011-10-26 09:40:17 | Tree | |
2011-10-26 09:25:27 | Tree | |
[r14921]
by
bugman
The Structure.test_superimpose_fit_to_first system test is now testing the backbone heavy atom fit. |
2011-10-26 09:25:07 | Tree |
[r14920]
by
bugman
Created the Structure.test_superimpose_fit_to_first system test. The structure.superimpose user function doesn't exist yet, but all the necessary algorithms are |
2011-10-26 08:49:27 | Tree |
2011-10-26 08:38:16 | Tree | |
[r14918]
by
bugman
Added the centroid arg to the structure.displacement user function for pivoted motions. By specifying the centroid position for all structures, a pivoted motion is assumed. All |
2011-10-26 08:25:23 | Tree |
[r14917]
by
bugman
The Structure.test_displacement() system test is now checking all of the numerical results. |
2011-10-25 14:49:29 | Tree |
[r14916]
by
bugman
Fixes for the structure.displacement user function. The rotations are now correctly calculated - the problem was that the numpy SVD is not transposing |
2011-10-25 14:41:43 | Tree |
[r14915]
by
bugman
The structural model displacement data structure is now restored from the XML save files. There are a few fixes for the to_xml() methods as well. |
2011-10-25 14:24:30 | Tree |
[r14914]
by
bugman
Expanded the Structure.test_displacement() system test to test the XML save files. |
2011-10-25 12:58:38 | Tree |