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[Fix] Compound Grouping, Identity prediction of enviFormer, Setting params (#337)

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Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#337
This commit is contained in:
jebus
2026-02-20 10:14:28 +13:00
parent 0ff046363c
commit d2c2e643cb
8 changed files with 43 additions and 20 deletions
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14
epdb/views.py
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@ -1591,7 +1591,7 @@ def package_rule(request, package_uuid, rule_uuid):
context = get_base_context(request)
if smiles := request.GET.get("smiles", False):
stand_smiles = FormatConverter.standardize(smiles)
stand_smiles = FormatConverter.standardize(smiles, remove_stereo=True)
res = current_rule.apply(stand_smiles)
if len(res) > 1:
logger.info(
@ -1919,7 +1919,7 @@ def package_pathways(request, package_uuid):
"Pathway prediction failed due to missing or empty SMILES",
)
try:
stand_smiles = FormatConverter.standardize(smiles)
stand_smiles = FormatConverter.standardize(smiles, remove_stereo=True)
except ValueError:
return error(
request,
@ -2793,7 +2793,6 @@ def settings(request):
return render(request, "collections/settings_paginated.html", context)
return render(request, "collections/objects_list.html", context)
elif request.method == "POST":
if s.DEBUG:
for k, v in request.POST.items():
@ -2805,15 +2804,18 @@ def settings(request):
new_default = request.POST.get("prediction-setting-new-default", "off") == "on"
# min 2, max s.DEFAULT_MAX_NUMBER_OF_NODES
max_nodes = min(
max(
int(request.POST.get("prediction-setting-max-nodes", 1)),
s.DEFAULT_MAX_NUMBER_OF_NODES,
2,
),
s.DEFAULT_MAX_NUMBER_OF_NODES,
)
# min 1, max s.DEFAULT_MAX_DEPTH
max_depth = min(
max(int(request.POST.get("prediction-setting-max-depth", 1)), s.DEFAULT_MAX_DEPTH),
max(int(request.POST.get("prediction-setting-max-depth", 1)), 1),
s.DEFAULT_MAX_DEPTH,
)
@ -2960,7 +2962,7 @@ def jobs(request):
parts = pair.split(",")
try:
smiles = FormatConverter.standardize(parts[0])
smiles = FormatConverter.standardize(parts[0], remove_stereo=True)
except ValueError:
raise BadRequest(f"Couldn't standardize SMILES {parts[0]}!")