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SVN archive Commit Log


Commit Date  
[r21451] by bugman

Fix for the N-state model _target_fn_setup() method for when no PCS data is present.

2013-11-14 14:01:37 Tree
[r21450] by bugman

Started to add better pseudo-atom support for the PCS.

The new pipe_control.pcs.setup_pseudoatom_pcs() function has been added to deselect the spins which
are members of a pseudo-atom. The return_pcs_data() function in the same module now calls this
function and builds a list of pseudo-atom flags for use in the target function (though it is still
unused).

2013-11-14 14:00:49 Tree
[r21449] by bugman

Fix for the setup_pseudoatom_rdc() function which should have been part of r21448.

2013-11-14 13:39:13 Tree
[r21448] by bugman

Changes to the setup_pseudoatom_rdcs() function and renamed it to setup_pseudoatom_rdc().

The interatomic loop is now within the function to make sure that all is completed before the
containers are accessed.

2013-11-14 13:38:19 Tree
[r21447] by bugman

Updated some of the RDC data files used in the frame order system tests.

The spin IDs are now in quotation marks as the molecule name is included. This is to prevent the
line being removed as a comment.

2013-11-14 13:06:05 Tree
[r21446] by bugman

Updated a number of RDC test suite data files to have quotation marks around the spin IDs.

This is to allow the molecule identifier to be present while not being mistaken for a comment line.

2013-11-14 12:44:17 Tree
[r21445] by bugman

The rdc.read and j_coupling.read user functions now ignore all lines starting with the # character.

This is to remove all comment lines silently. Therefore if spin IDs are used which contain the
molecule name, then they should be wrapped in quotation marks.

2013-11-14 12:43:21 Tree
[r21444] by bugman

Added quotation marks around a number of spin IDs with molecule names in some RDC data files.

This is for the N-state model population model data used in the test suite.

2013-11-14 12:34:07 Tree
[r21443] by bugman

Removed a debugging printout.

2013-11-14 12:27:48 Tree
[r21442] by bugman

Typo fix in a warning message.

2013-11-14 12:12:24 Tree
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