[Feature] Add Predict Pathway Page in Modern UI (#188)

## Major Changes
- Predict Pathway is now a separate view as it is meant as adavanced prediction interface

## Current status
![image.png](/attachments/c5bc3f5c-cf30-4b5f-acb3-a70117a96dae)

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#188
Co-authored-by: Tobias O <tobias.olenyi@envipath.com>
Co-committed-by: Tobias O <tobias.olenyi@envipath.com>
This commit is contained in:
2025-11-12 02:38:57 +13:00
committed by jebus
parent 2b79adc2f7
commit c1553d9cd4
9 changed files with 939 additions and 530 deletions

View File

@ -362,6 +362,18 @@ def index(request):
return render(request, "index/index.html", context)
def predict_pathway(request):
"""Top-level predict pathway view using user's default package."""
if request.method != "GET":
return HttpResponseNotAllowed(["GET"])
context = get_base_context(request)
context["title"] = "enviPath - Predict Pathway"
context["meta"]["current_package"] = context["meta"]["user"].default_package
return render(request, "predict_pathway.html", context)
def packages(request):
current_user = _anonymous_or_real(request)
@ -1301,7 +1313,7 @@ def package_compound_structures(request, package_uuid, compound_uuid):
elif request.method == "POST":
structure_name = request.POST.get("structure-name")
structure_smiles = request.POST.get("structure-smiles").strip()
structure_smiles = request.POST.get("structure-smiles")
structure_description = request.POST.get("structure-description")
try:
@ -1483,11 +1495,11 @@ def package_rules(request, package_uuid):
# Obtain parameters as required by rule type
if rule_type == "SimpleAmbitRule":
params["smirks"] = request.POST.get("rule-smirks").strip()
params["smirks"] = request.POST.get("rule-smirks")
params["reactant_filter_smarts"] = request.POST.get("rule-reactant-smarts")
params["product_filter_smarts"] = request.POST.get("rule-product-smarts")
elif rule_type == "SimpleRDKitRule":
params["reaction_smarts"] = request.POST.get("rule-reaction-smarts").strip()
params["reaction_smarts"] = request.POST.get("rule-reaction-smarts")
elif rule_type == "ParallelRule":
pass
elif rule_type == "SequentialRule":
@ -1684,7 +1696,7 @@ def package_reactions(request, package_uuid):
elif request.method == "POST":
reaction_name = request.POST.get("reaction-name")
reaction_description = request.POST.get("reaction-description")
reactions_smirks = request.POST.get("reaction-smirks").strip()
reactions_smirks = request.POST.get("reaction-smirks")
educts = reactions_smirks.split(">>")[0].split(".")
products = reactions_smirks.split(">>")[1].split(".")