[Feature] Changes required for non public tenants (#370)

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#370
This commit is contained in:
2026-04-22 06:08:39 +12:00
parent b508511cd6
commit 8498e59fa1
13 changed files with 249 additions and 88 deletions

View File

@ -1112,6 +1112,7 @@ class CompoundStructure(
canonical_smiles = models.TextField(blank=False, null=False, verbose_name="Canonical SMILES")
inchikey = models.TextField(max_length=27, blank=False, null=False, verbose_name="InChIKey")
normalized_structure = models.BooleanField(null=False, blank=False, default=False)
molfile = models.TextField(blank=True, null=True, verbose_name="Molfile")
external_identifiers = GenericRelation("ExternalIdentifier")
@ -1208,6 +1209,9 @@ class CompoundStructure(
return dict(hls)
def d3_json(self):
return {}
class EnzymeLink(EnviPathModel, KEGGIdentifierMixin):
rule = models.ForeignKey("Rule", on_delete=models.CASCADE, db_index=True)
@ -2214,7 +2218,11 @@ class Node(EnviPathModel, AliasMixin, ScenarioMixin, AdditionalInformationMixin)
if isinstance(ai.get(), PropertyPrediction):
predicted_properties[ai.get().__class__.__name__].append(ai.data)
return {
# If we have Subclasses of a CompoundStructure we can overwrite keys (e.g. images)
# by overwriting keys
structure_data = self.default_node_label.d3_json()
res = {
"depth": self.depth,
"stereo_removed": self.stereo_removed,
"url": self.url,
@ -2223,6 +2231,7 @@ class Node(EnviPathModel, AliasMixin, ScenarioMixin, AdditionalInformationMixin)
"image_svg": IndigoUtils.mol_to_svg(
self.default_node_label.smiles, width=40, height=40
),
"image_type": "svg",
"name": self.get_name(),
"smiles": self.default_node_label.smiles,
"scenarios": [{"name": s.get_name(), "url": s.url} for s in self.scenarios.all()],
@ -2235,8 +2244,11 @@ class Node(EnviPathModel, AliasMixin, ScenarioMixin, AdditionalInformationMixin)
"predicted_properties": predicted_properties,
"is_engineered_intermediate": self.kv.get("is_engineered_intermediate", False),
"timeseries": self.get_timeseries_data(),
**structure_data,
}
return res
@staticmethod
@transaction.atomic
def create(