0000043: Feature Request: Ability to provide custom names for custom score terms in PyRosetta

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0000043

PyRosetta

[All Projects] Bad Coding

public

2012-07-16 17:24

2012-08-04 10:33

Reporter

Labonte

Assigned To

Sergey

Priority

low

Severity

minor

Reproducibility

always

Status

confirmed

Resolution

open

Platform

All platforms

Any

OS Version

Any

Product Version

[Rosetta] Trunk

Fixed in Version

Summary

0000043: Feature Request: Ability to provide custom names for custom score terms in PyRosetta

Description

Currently, if one creates a custom scoring method in PyRosetta, the name of the scoring type/term is automatically assigned by the EnergyMethod()() decorator found in __init__.py. (The name assigned is "PyRosettaEnergy_first", "PyRosettaEnergy_last", or "PyRosettaEnergy_XXX", where XXX is an integer between 256 and 265.) It would be more helpful to name the term to match what the scoring method is actually doing.

Steps To Reproduce

>>>from rosetta import *
>>>import rosetta.core.scoring.methods as methods
>>>@EnergyMethod()
...class LengthScoreMethod(methods.ContextIndependentOneBodyEnergy):
... def __init__(self): methods.ContextIndependentOneBodyEnergy.__init__(self, self.creator())
... def residue_energy(self, res, pose, emap): emap.get().set(self.scoreType, 1.0)
...
...
>>>init()
>>>pose = pose_from_sequence("ACDEFGHI")
>>>sf = ScoreFunction()
>>>len_score = LengthScoreMethod.scoreType
>>>sf.set_weight(len_score, 1.0)
>>>sf.show(pose)
------------------------------------------------------------
Scores Weight Raw Score Wghtd.Score
------------------------------------------------------------
PyRosettaEnergy_257 1.000 8.000 8.000
---------------------------------------------------
Total weighted score: 8.000

Additional Information

(Technically, this is not an issue of "bad coding", but there is no category option for "feature request".)

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No tags attached.

Application(s) Affected

PyRosetta

Command Line Used

see "Steps To Reproduce" above

Developer Options

Fixed in SVN Version

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Issue History
Date Modified	Username	Field	Change
2012-07-16 17:24	Labonte	New Issue
2012-07-16 17:24	Labonte	Status	new => assigned
2012-07-16 17:24	Labonte	Assigned To	=> Sergey
2012-07-16 17:26	Labonte	Tag Attached: PyRosetta
2012-07-18 12:59	mpacella	Status	assigned => confirmed
2012-08-03 14:04	delucasl	Project	Rosetta => PyRosetta
2012-08-04 10:32	Sergey	Tag Detached: PyRosetta
2012-08-04 10:33	Sergey	Product Version	=> Trunk