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SVN archive Commit Log


Commit Date  
[r5584] by bugman

Created the private __molecule_loop() method.

This is for looping over the individual molecules of the scientific data structures.

2008-04-11 14:30:20 Tree
[r5583] by bugman

A few fixes for the atom_loop() structural API method (for Scientific).

2008-04-11 12:53:13 Tree
[r5582] by bugman

Non protein/RNA/DNA molecules are now supported in the atom_loop() API method.

2008-04-11 12:42:49 Tree
[r5581] by bugman

Readded the condition to catch if no molecules can be identified in atom_loop().

2008-04-11 12:40:55 Tree
[r5580] by bugman

Improvements to the Scientific Python structural object atom_loop() method.

Multiple molecules of different types are now simultaneously supported.

2008-04-11 12:38:17 Tree
[r5579] by bugman

Fix for the print out of the load_spins() function.

Now only when a new SpinContainer is created is the spin system information written to stdout.

2008-04-11 12:21:38 Tree
[r5578] by bugman

Bug fix for the write_line() function.

2008-04-11 10:41:00 Tree
[r5577] by bugman

Added the missing import of generic_fns.sequence.write_line().

2008-04-11 10:40:13 Tree
[r5576] by bugman

Updated the load_spins() function to print out a list of spins appended to the data store.

2008-04-11 10:39:08 Tree
[r5575] by bugman

Fix for the test_angles() system test. The spins are now loaded.

2008-04-10 15:57:19 Tree
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