From fa25403e83cd90d1e336a8f0c805dc50ad876f64 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Tue, 16 May 2023 14:53:26 +0200
Subject: [PATCH] refactor: update test script to use modern scorer
---
docker/test_docker.py | 12 +++++++-----
1 file changed, 7 insertions(+), 5 deletions(-)
diff --git a/docker/test_docker.py b/docker/test_docker.py
index a1fabf916..65e1bbac4 100644
--- a/docker/test_docker.py
+++ b/docker/test_docker.py
@@ -1,5 +1,5 @@
import ost
-from ost.mol.alg import qsscoring
+from ost.mol.alg import scoring, qsscoring
from ost import conop
lib = conop.GetDefaultLib()
@@ -13,13 +13,15 @@ else:
# load two biounits to compare
ent_full = ost.io.LoadPDB('3ia3', remote=True)
ent_1 = ent_full.Select('cname=A,D')
-ent_2 = ent_full.Select('cname=B,C')
+ent_2 = ent_full.Select('cname=B')
# get score
ost.PushVerbosityLevel(3)
try:
- qs_scorer = qsscoring.QSscorer(ent_1, ent_2)
- ost.LogScript('QSscore:', str(qs_scorer.global_score))
- ost.LogScript('Chain mapping used:', str(qs_scorer.chain_mapping))
+ scorer = scoring.Scorer(ent_1, ent_2)
+ ost.LogScript('QSscore:', str(scorer.qs_global))
+ ost.LogScript('Chain mapping used:', str(scorer.chain_mapper))
+ print(dir(scorer.chain_mapper))
+ ost.LogScript('Chain mapping used:', str(scorer.chain_mapper))
except qsscoring.QSscoreError as ex:
# default handling: report failure and set score to 0
ost.LogError('QSscore failed:', str(ex))
--
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