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IDProjectCategoryView StatusDate SubmittedLast Update
0000280Rosetta[All Projects] Bad Codingpublic2013-06-05 20:472013-07-25 17:30
Assigned Tojadolfbr 
PlatformAll platformsOSAnyOS VersionAny
Product VersionTrunk 
Fixed in Version 
Summary0000280: HbondSet::HbondSet(pose) only computes bb-bb bonds
DescriptionHbondSet::HbondSet(pose) calls setup_for_residue_pair_energies() with the backbone_only flag set to true. This is a fairly counterintuitive default behavior, and the switch should probably be flipped, assuming existing code isn't relying on the current behavior
TagsNo tags attached.
Application(s) AffectedAll
Command Line UsedAnything that computes an hbond
Developer OptionsConfirmed As Bug
Fixed in SVN Version
Attached Files

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-  Notes
jadolfbr (Administrator)
2013-06-05 21:08

I have a fix for this in jadolfbr/hbond_interface. I'll be committing it soon.
jadolfbr (Administrator)
2013-07-25 11:12
edited on: 2013-07-25 11:20

I added an option to the pose constructor for bb_only boolean, with the default true to trunk ( [^]) . I also updated the code documentation. To flip the switch on the default, I would need to find the pose constructor throughout code - How can this be done reliably?

rmoretti (Attentive Developer)
2013-07-25 17:30

Probably the easiest way of finding all the places where a particular C++ function is called in the code is to change the interface of the function, and look for all the places the compiler complains.

For your purposes, just remove the default option on the HBondSet constructor, recompile, (temporarily) fix all the places where it complains about the missing constructor to be explicit about the parameter, and keep repeating until the code compiles without issue. You'll then have identified all the location where that function has been called. (Or at least those locations which are actively being compiled.)

- Issue History
Date Modified Username Field Change
2013-06-05 20:47 delucasl New Issue
2013-06-05 20:47 delucasl Status new => assigned
2013-06-05 20:47 delucasl Assigned To => momeara
2013-06-05 21:08 jadolfbr Note Added: 0000302
2013-06-05 23:47 jadolfbr Assigned To momeara => jadolfbr
2013-07-25 11:12 jadolfbr Note Added: 0000308
2013-07-25 11:20 jadolfbr Note Edited: 0000308 View Revisions
2013-07-25 17:30 rmoretti Note Added: 0000309

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