Commit | Date | |
---|---|---|
[r18490]
by
bugman
Docstring addition for the generic_fns.structure.statistics.atomic_rmsd() function. |
2013-02-18 17:56:49 | Tree |
[r18489]
by
bugman
Fix for the structure.add_atom user function for the internal structural object. The atomic positions for each model are now correctly set. |
2013-02-18 17:54:17 | Tree |
[r18488]
by
bugman
Added checks for the atomic information to the Structure.test_rmsd system test. This demonstrates a failure of structure.add_atom user function when specifying different positions |
2013-02-18 17:52:39 | Tree |
[r18487]
by
bugman
Spun out the atomic_rmsd() and calc_mean_structure() functions into their own module. They were previously in the generic_fns.structure.superimpose module but are now in the new |
2013-02-18 17:41:19 | Tree |
[r18486]
by
bugman
Modified the structure.add_atom user function to allow the position argument to be a rank-2 array. This allows a different coordinate for each model to be specified. |
2013-02-18 17:32:51 | Tree |
[r18485]
by
bugman
Bug fix for the arg_check.is_float_matrix() function for when the dimensions are not given. |
2013-02-18 17:16:32 | Tree |
2013-02-18 17:08:05 | Tree | |
[r18483]
by
bugman
Modified the structure.add_model calls in the Structure.test_rmsd system test to include model nums. |
2013-02-18 17:07:01 | Tree |
2013-02-18 16:59:31 | Tree | |
2013-02-18 16:56:39 | Tree |