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Commit Date  
[r3135] by bugman

Two fixes for the MoleculeList class method __repr__().

2007-03-09 08:12:42 Tree
[r3134] by bugman

Added the variable name = None to the MoleculeContainer class namespace.

This variable is the name of the molecule, which if specified should correspond to a molecule or
chain identifier in the 3D structure file.

2007-03-09 08:11:56 Tree
[r3133] by bugman

Fixed the __repr__() method of the MoleculeList class.

2007-03-09 08:06:52 Tree
[r3132] by bugman

Fixed an incorrect comment in the PipeContainer.

2007-03-09 08:02:25 Tree
[r3131] by bugman

Bug fix.

The __repr__ method of the PipeContainer was failing because of the call to getattr() for the 'mol'
object. Now the 'mol', 'diff', and 'structure' objects are not sent to getattr(), rather a special
description is given rather than the object's attribute.

2007-03-09 08:00:51 Tree
[r3130] by bugman

Converted the residue specific data container into the molecule list 'mol' in the pipe container.

The old residue specific container was located at 'self.relax.data.res' whereas the molecule list
object is located at D[pipe].mol where D is the relax data storage singleton.

2007-03-09 07:46:41 Tree
[r3129] by bugman

Deleted the unused Data.__init__() method.

2007-03-09 06:25:17 Tree
[r3128] by varioustoxins

incorrect interpretation of test_module corrected, unit tests work from
relax command line again

2007-03-08 09:42:53 Tree
[r3127] by bugman

Addition of the molecule-residue-spin data classes.

The following classes have been created:
MoleculeList
MoleculeContainer
ResidueList
ResidueContainer
SpinList
SpinContainer

These were modified from the original Residue and ResidueList classes.

2007-03-08 08:36:23 Tree
[r3126] by bugman

Converted the global minimisation statistic objects from empty dictionaries to None.

2007-03-08 07:28:55 Tree
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