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SVN archive Commit Log


Commit Date  
[r16860] by bugman

Created the generic_fns.interatomic module and added the return_container() method.

2012-06-11 18:47:41 Tree
[r16859] by bugman

Created the InteratomContainer.id_match() method for checking the spin IDs in both directions for a match.

2012-06-11 18:41:25 Tree
[r16858] by bugman

Converted a few of the N-state model system tests to use the new rdc.read definition.

2012-06-11 18:40:39 Tree
[r16857] by bugman

Added the script for the system test of the last commit (r16856).

2012-06-11 18:23:02 Tree
[r16856] by bugman

Created an initial system (and GUI) test for the absolute RDC concept.

2012-06-11 18:21:58 Tree
[r16855] by bugman

Converted some of the test suite RDC data to use the double spin ID format for interatomic data.

2012-06-11 18:20:01 Tree
[r16854] by bugman

Converted the only sample script which uses the rdc.read user function to the changed definition.

2012-06-11 18:17:55 Tree
[r16853] by bugman

Converted the rdc.read user function backend to the new interatomic data design.

2012-06-11 18:16:21 Tree
[r16852] by bugman

Converted the stereochemistry auto-analysis to use the new rdc.read definition.

2012-06-11 18:15:20 Tree
[r16851] by bugman

Added the 'absolute' keyword arg to the rdc.read user function definition.

This will be used to mark RDCs as being unsigned.

2012-06-11 18:13:41 Tree
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