Commit | Date | |
---|---|---|
[r5519]
by
bugman
All the atom_loop() args in the API have been set to False. This will make the method more robust as the caller will get exactly what it asks for, i.e. the |
2008-04-10 09:10:34 | Tree |
[r5518]
by
bugman
Made the call to the atom_loop() method in the centre_of_mass() function more robust. By setting all the flags, the returned tuple should always be the correct size, even if additional |
2008-04-10 09:09:03 | Tree |
2008-04-10 09:07:06 | Tree | |
[r5516]
by
bugman
Made the structural API method atom_loop() much more flexible. Each part of the tuple of atomic information can be individually selected to be yielded, and the |
2008-04-10 09:05:05 | Tree |
[r5515]
by
bugman
Bug fix for the calling of terminate(). This is now an object method which is part of the structural data API, rather than a module |
2008-04-09 15:28:23 | Tree |
2008-04-09 15:27:03 | Tree | |
2008-04-09 15:25:29 | Tree | |
2008-04-09 15:24:26 | Tree | |
[r5511]
by
bugman
Replaced the initialisation of the atomic_data dictionary with an instance of Internal_PDB. |
2008-04-09 15:22:32 | Tree |
2008-04-09 15:16:40 | Tree |