MantisBT - Rosetta
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0000291Rosetta[All Projects] Bad Codingpublic2013-07-19 10:582013-07-19 14:04
AndrewLeaverFay 
AndrewLeaverFay 
urgentmajoralways
resolvedfixed 
All platformsAnyAny
Trunk 
Trunk 
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-nblist_autoupdate
Confirmed As Bug
e5a8135
0000291: FA_Elec / HackElec derivatives wrong when using nblist_autoupdate
The derivatives for hack-elec are not evaluated when using nblist_autoupdate. They haven't been evaluated since r38314 (https://svn.rosettacommons.org/trac/changeset/38314/trunk/mini/src/core/scoring/hackelec/HackElecEnergy.cc [^]). They are just fine if you're not using nblist_autoupdate, however.

This surely effects any protocol that uses nblist_autoupdate and the new default score function, Talaris2013.
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Issue History
2013-07-19 10:58AndrewLeaverFayNew Issue
2013-07-19 10:58AndrewLeaverFayStatusnew => assigned
2013-07-19 10:58AndrewLeaverFayAssigned To => AndrewLeaverFay
2013-07-19 14:04AndrewLeaverFayFixed in SVN Version => e5a8135
2013-07-19 14:04AndrewLeaverFayNote Added: 0000306
2013-07-19 14:04AndrewLeaverFayStatusassigned => resolved
2013-07-19 14:04AndrewLeaverFayFixed in Version => Trunk
2013-07-19 14:04AndrewLeaverFayResolutionopen => fixed

Notes
(0000306)
AndrewLeaverFay   
2013-07-19 14:04   
Reinstated code commented out in r38314 and deleted in r47618. Added unit tests to make sure that derivative evaluation with the use_nblist_autoupdate flag works properly (and won't get broken carelessly again).

Thanks, Frank, for finding this bug!