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

[FIX] Fixed Search Output, Legacy API Model Endpoint, Handle ObjectsDoesNotExists in views (#297)

Browse Source 
Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#297
This commit is contained in:
jebus
2026-01-15 20:39:54 +13:00
parent 6499a0c659
commit 54f8302104
9 changed files with 111 additions and 103 deletions
Download Patch File Download Diff File Expand all files Collapse all files

15
epdb/models.py
View File

@ -1353,12 +1353,13 @@ class SimpleAmbitRule(SimpleRule):
def get_rule_identifier(self) -> str:
return "simple-rule"
def apply(self, smiles):
def apply(self, smiles, *args, **kwargs):
return FormatConverter.apply(
smiles,
self.smirks,
reactant_filter_smarts=self.reactant_filter_smarts,
product_filter_smarts=self.product_filter_smarts,
**kwargs,
)
@property
@ -1388,8 +1389,8 @@ class SimpleAmbitRule(SimpleRule):
class SimpleRDKitRule(SimpleRule):
reaction_smarts = models.TextField(blank=False, null=False, verbose_name="SMIRKS")
def apply(self, smiles):
return FormatConverter.apply(smiles, self.reaction_smarts)
def apply(self, smiles, *args, **kwargs):
return FormatConverter.apply(smiles, self.reaction_smarts, **kwargs)
def _url(self):
return "{}/simple-rdkit-rule/{}".format(self.package.url, self.uuid)
@ -1410,10 +1411,10 @@ class ParallelRule(Rule):
def srs(self) -> QuerySet:
return self.simple_rules.all()
def apply(self, structure):
def apply(self, structure, *args, **kwargs):
res = list()
for simple_rule in self.srs:
res.extend(simple_rule.apply(structure))
res.extend(simple_rule.apply(structure, **kwargs))
return list(set(res))
@ -1518,11 +1519,11 @@ class SequentialRule(Rule):
def srs(self):
return self.simple_rules.all()
def apply(self, structure):
def apply(self, structure, *args, **kwargs):
# TODO determine levels or see java implementation
res = set()
for simple_rule in self.srs:
res.union(set(simple_rule.apply(structure)))
res.union(set(simple_rule.apply(structure, **kwargs)))
return res