Menu

SVN archive Commit Log


Commit Date  
[r5520] by bugman

Updated the Scientific Python structural API atom_loop() method.

All the flags are now accepted, and the appropriate tuple is now built.

2008-04-10 09:19:07 Tree
[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
tuple will be of the right size.

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
atomic data is specified in the API method.

2008-04-10 09:09:03 Tree
[r5517] by bugman

Updated the call to the atom_loop() method in the centre_of_mass() function.

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
element name is now also returned.

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
function.

2008-04-09 15:28:23 Tree
[r5514] by bugman

Added the missing import of Internal_PDB.

2008-04-09 15:27:03 Tree
[r5513] by bugman

Replaced all references to 'atomic_data' with 'structure'.

2008-04-09 15:25:29 Tree
[r5512] by bugman

Removed a reference to atomic_data in a docstring.

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
Older >
Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.