Menu

SVN archive Commit Log


Commit Date  
[r15224] by bugman

Fixes for the rdc.read and pcs.read user function backends.

The spin_id string is now not used in the back end - it was being sent to the return_spin() function
- removing flexibility but significantly speeding up the user functions.

2012-01-24 14:00:01 Tree
[r15223] by bugman

Significant speed ups of the return_spin() and return_residue() functions.

This change to the generic_fns.mol_res_spin functions cuts the system tests from ~8 min to ~7 min on
my laptop. The support for multiple spin selections has been dropped as this additional flexibility
is not being used anyway.

2012-01-24 13:58:21 Tree
[r15222] by bugman

Disabled all of the frame order system tests.

These will be reactivated one by one as the tests are fixed.

2012-01-24 10:34:12 Tree
[r15221] by bugman

Renamed the disabled unit tests from xxx_*() to fixme_*().

2012-01-24 10:33:04 Tree
[r15220] by bugman

Added a print out for the diffusion_tensor.init uf to inform the user of an angle unit change.

This is in response to bug #19323 (https://gna.org/bugs/?19323), to make it clearer that a parameter
conversion has occurred.

2012-01-24 09:18:12 Tree
[r15219] by bugman

Rearranged some of the frame order scripts containing tensors.

These system test scripts have been shifted into the test_suite/shared_data directory for future
conversion to RDCs to be compatible with the new frame order design.

2012-01-23 15:42:47 Tree
[r15218] by bugman

Shifted the last of the CaM frame order test data into its subdirectory.

2012-01-23 12:04:15 Tree
[r15217] by bugman

Started to shift the CaM frame order test data into the subdirectory.

2012-01-23 11:58:50 Tree
[r15216] by bugman

Created a directory to shift all of the CaM frame order test data to.

2012-01-23 11:56:01 Tree
[r15215] by semor

Manually fix the script based on changes made during branch updating.

This is as discussed by Edward d'Auvergne in a post at:
https://mail.gna.org/public/relax-devel/2012-01/msg00001.html
(Message-id: <CAED9pY9pnJGs3oMk2DTw76xA1HoqHx0+wUD1gAdzbOAu6F87bg@...>)

2012-01-21 16:02:51 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.