Commit | Date | |
---|---|---|
[r8468]
by
bugman
Redesign of the set up of the molecule container data structures. The file info is now set by the pack_structs() base API method rather than the MolContainer internal |
2009-01-15 12:42:44 | Tree |
[r8467]
by
bugman
Fix for the 2 test_load_pdb() unit tests. The mol name is in the mol_name variable. |
2009-01-15 12:25:01 | Tree |
2009-01-15 12:23:58 | Tree | |
2009-01-15 10:53:55 | Tree | |
[r8464]
by
bugman
Fix for the test_atom_loop_spin_selection2() unit test, the molecule now has a name! |
2009-01-15 10:53:23 | Tree |
2009-01-15 10:50:27 | Tree | |
2009-01-15 10:45:01 | Tree | |
[r8461]
by
bugman
Simplification of the internal structural object atom_loop() method. There is now only one block of code for the atom looping for the two options of the ave argument. |
2009-01-15 10:42:48 | Tree |
[r8460]
by
bugman
Deleted all unit tests for the ScientificPython structural object __molecule_loop() method. This method no longer exists! |
2009-01-15 10:35:48 | Tree |
2009-01-15 10:32:19 | Tree |