[Fix] Post Modern UI deploy Bugfixes (#240)

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#240

epdb/models.py

@@ -2282,6 +2282,13 @@ class PackageBasedModel(EPModel):
         return Dataset.load(ds_path)
 
     def retrain(self):
+        # Reset eval fields
+        self.eval_results = {}
+        self.eval_packages.clear()
+        self.model_status = False
+        self.save()
+
+        # Do actual retrain
         self.build_dataset()
         self.build_model()
 
@@ -2319,7 +2326,7 @@ class PackageBasedModel(EPModel):
         self.save()
 
     def evaluate_model(self, multigen: bool, eval_packages: List["Package"] = None, **kwargs):
-        if self.model_status != self.BUILT_NOT_EVALUATED:
+        if self.model_status not in [self.BUILT_NOT_EVALUATED, self.FINISHED]:
             raise ValueError(f"Can't evaluate a model in state {self.model_status}!")
 
         if multigen:
@@ -2327,9 +2334,12 @@ class PackageBasedModel(EPModel):
             self.save()
 
         if eval_packages is not None:
+            self.eval_packages.clear()
             for p in eval_packages:
                 self.eval_packages.add(p)
 
+        self.eval_results = {}
+
         self.model_status = self.EVALUATING
         self.save()
 
@@ -2383,9 +2393,14 @@ class PackageBasedModel(EPModel):
             recall = {f"{t:.2f}": [] for t in thresholds}
 
             # Note: only one root compound supported at this time
-            root_compounds = [
-                [p.default_node_label.smiles for p in p.root_nodes][0] for p in pathways
-            ]
+            root_compounds = []
+            for pw in pathways:
+                if pw.root_nodes:
+                    root_compounds.append(pw.root_nodes[0].default_node_label)
+                else:
+                    logger.info(
+                        f"Skipping MG Eval of Pathway {pw.name} ({pw.uuid}) as it has no root compounds!"
+                    )
 
             # As we need a Model Instance in our setting, get a fresh copy from db, overwrite the serialized mode and
             # pass it to the setting used in prediction
@@ -3192,7 +3207,7 @@ class EnviFormer(PackageBasedModel):
         return args
 
     def evaluate_model(self, multigen: bool, eval_packages: List["Package"] = None, **kwargs):
-        if self.model_status != self.BUILT_NOT_EVALUATED:
+        if self.model_status not in [self.BUILT_NOT_EVALUATED, self.FINISHED]:
             raise ValueError(f"Can't evaluate a model in state {self.model_status}!")
 
         if multigen:
@@ -3200,9 +3215,12 @@ class EnviFormer(PackageBasedModel):
             self.save()
 
         if eval_packages is not None:
+            self.eval_packages.clear()
             for p in eval_packages:
                 self.eval_packages.add(p)
 
+        self.eval_results = {}
+
         self.model_status = self.EVALUATING
         self.save()
 

epdb/views.py

@@ -5,6 +5,7 @@ from typing import Any, Dict, List
 import nh3
 from django.conf import settings as s
 from django.contrib.auth import get_user_model
+from django.core.exceptions import BadRequest
 from django.http import HttpResponse, HttpResponseBadRequest, HttpResponseNotAllowed, JsonResponse
 from django.shortcuts import redirect, render
 from django.urls import reverse
@@ -319,7 +320,7 @@ def get_base_context(request, for_user=None) -> Dict[str, Any]:
 
 
 def _anonymous_or_real(request):
-    if request.user.is_authenticated and not request.user.is_anonymous:
+    if request.user and (request.user.is_authenticated and not request.user.is_anonymous):
         return request.user
     return get_user_model().objects.get(username="anonymous")
 
@@ -1261,8 +1262,12 @@ def package_compounds(request, package_uuid):
         compound_name = request.POST.get("compound-name")
         compound_smiles = request.POST.get("compound-smiles")
         compound_description = request.POST.get("compound-description")
-
-        c = Compound.create(current_package, compound_smiles, compound_name, compound_description)
+        try:
+            c = Compound.create(
+                current_package, compound_smiles, compound_name, compound_description
+            )
+        except ValueError as e:
+            raise BadRequest(str(e))
 
         return redirect(c.url)
 
@@ -2819,14 +2824,18 @@ def settings(request):
     context = get_base_context(request)
 
     if request.method == "GET":
+        context = get_base_context(request)
+        context["title"] = "enviPath - Settings"
+
         context["object_type"] = "setting"
-        # Even if settings are aready in "meta", for consistency add it on root level
-        context["settings"] = SettingManager.get_all_settings(current_user)
         context["breadcrumbs"] = [
             {"Home": s.SERVER_URL},
             {"Group": s.SERVER_URL + "/setting"},
         ]
-        return
+
+        context["objects"] = SettingManager.get_all_settings(current_user)
+
+        return render(request, "collections/objects_list.html", context)
     elif request.method == "POST":
         if s.DEBUG:
             for k, v in request.POST.items():