jebus/enviPy-bayer
1
0
Fork 0
forked from enviPath/enviPy
Code Issues Pull Requests Actions Releases Activity

app domain assess and assess_batch. Add threshold check for compatability

Browse Source
This commit is contained in:
Liam Brydon
2025-11-06 10:32:21 +13:00
parent 9f0e396437
commit 09ddd46d69
3 changed files with 17 additions and 23 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
epdb/logic.py
View File

@ -1542,9 +1542,7 @@ class SPathway(object):
if sub.app_domain_assessment is None:
if self.prediction_setting.model:
if self.prediction_setting.model.app_domain:
app_domain_assessment = self.prediction_setting.model.app_domain.assess(
sub.smiles
)[0]
app_domain_assessment = self.prediction_setting.model.app_domain.assess(sub.smiles)
if self.persist is not None:
n = self.snode_persist_lookup[sub]
@ -1576,11 +1574,7 @@ class SPathway(object):
app_domain_assessment = None
if self.prediction_setting.model:
if self.prediction_setting.model.app_domain:
app_domain_assessment = (
self.prediction_setting.model.app_domain.assess(c)[
0
]
)
app_domain_assessment = (self.prediction_setting.model.app_domain.assess(c))
self.smiles_to_node[c] = SNode(
c, sub.depth + 1, app_domain_assessment