MantisBT - Rosetta |
| View Issue Details |
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| ID | Project | Category | View Status | Date Submitted | Last Update |
| 0000229 | Rosetta | [All Projects] Bad Coding | public | 2013-03-24 18:58 | 2013-03-24 19:03 |
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| Reporter | rmoretti | |
| Assigned To | | |
| Priority | normal | Severity | minor | Reproducibility | always |
| Status | new | Resolution | open | |
| Platform | | OS | | OS Version | |
| Product Version | Trunk | |
| Fixed in Version | | |
| Application(s) Affected | na |
| Command Line Used | na |
| Developer Options | |
| Fixed in SVN Version | |
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| Summary | 0000229: protocols::scoring::Interface requires a pre-scored pose. |
| Description | If you call protocols::scoring::Interface.calculate(pose) on a pose that hasn't been scored yet, you'll get an assertion error in core::scoring::Energies::energy_graph() regarding the bad energy graph state of the pose.
You'll also get the error if you use the Interface object indirectly, for example through the RestrictToInterface task operation. |
| Steps To Reproduce | |
| Additional Information | Aside from causing an assertion error in debug mode, this behavior may introduce a bug/undesired behavior if the state of the pose has changed from the last time it was scored. (e.g. the energy graph might not be up to date).
It looks like the energy graph dependance is solely to look at the pair distance (see Interface::protein_calculate() and symmetric_protein_calculate() ), and probably should be rewritten to avoid depending on the energy graph (as ligand_calculate() is). |
| Tags | No tags attached. |
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| Issue History |
| Date Modified | Username | Field | Change |
| 2013-03-24 18:58 | rmoretti | New Issue | |
| 2013-03-24 19:03 | smlewis | Note Added: 0000213 | |