[Feature] Sync Features from Client Repo (#425)

- New PackageImporter
- Fix persisting Molfile on Structure creation
- Add NonPersistent Prediction
- Pathway View Options
- Edit Node Fix

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#425

epauth/views.py

@@ -87,6 +87,11 @@ def get_access_token_from_request(request, scopes=None):
     """
     Get an access token from the request using MSAL token cache.
     """
+
+    # Check if auth via Access Token
+    if request.headers.get("Authorization"):
+        return {"access_token": request.headers.get("Authorization").split(" ")[1]}
+
     if scopes is None:
         scopes = s.MS_ENTRA_SCOPES
 

epdb/exceptions.py

@@ -4,3 +4,7 @@ class InvalidSMILESException(Exception):
 
 class InvalidMolfileException(Exception):
     pass
+
+
+class PackageImportException(Exception):
+    pass

epdb/legacy_api.py

@@ -1635,24 +1635,10 @@ class PathwayNode(Schema):
         # TODO
         return []
 
-    @staticmethod
-    def resolve_engineered_intermediate(obj: Node):
-        # TODO
-        return False
-
-    @staticmethod
-    def resolve_image(obj: Node):
-        return f"{obj.default_node_label.url}?image=svg"
-
     @staticmethod
     def resolve_image_size(obj: Node):
         return 400
 
-    @staticmethod
-    def resolve_proposed_intermediate(obj: Node):
-        # TODO
-        return []
-
 
 class PathwaySchema(Schema):
     aliases: List[str] = Field([], alias="aliases")
@@ -2282,3 +2268,26 @@ def get_setting(request, setting_uuid):
         return 403, {
             "message": f"Getting Setting with id {setting_uuid} failed due to insufficient rights!"
         }
+
+
+########
+# Util #
+########
+class NonPersistent(Schema):
+    smiles: str
+    setting_url: str = Field(..., alias="settingUri")
+
+
+@router.post("/util", response={200: Any, 403: Error})
+def predict(request, np: Form[NonPersistent]):
+    try:
+        from epdb.logic import SPathway
+
+        setting = SettingManager.get_setting_by_url(request.user, np.setting_url)
+        spw = SPathway(prediction_setting=setting, root_nodes=[np.smiles])
+        spw.predict()
+        return spw.to_json()
+    except ValueError:
+        return 403, {
+            "message": f"Getting Setting with id {np.setting_url} failed due to insufficient rights!"
+        }

epdb/logic.py

@@ -1011,7 +1011,7 @@ class PackageManager(object):
         add_import_timestamp=True,
         trust_reviewed=False,
     ) -> Package:
-        importer = PackageImporter(data, preserve_uuids, add_import_timestamp, trust_reviewed)
+        importer = PackageImporter(data, preserve_uuids)
         imported_package = importer.do_import()
 
         up = UserPackagePermission()
@@ -1828,6 +1828,11 @@ class SPathway(object):
                 "to": to_indices,
             }
 
+            if edge.rule:
+                e["rule"] = edge.rule.simple_json()
+            if edge.probability:
+                e["probability"] = edge.probability
+
             edges.append(e)
 
         return {

epdb/models.py

@@ -1241,8 +1241,12 @@ class CompoundStructure(
         if description is not None:
             cs.description = nh3.clean(description, tags=s.ALLOWED_HTML_TAGS).strip()
 
-        cs.smiles = smiles
         cs.compound = compound
+        cs.smiles = smiles
+
+        # Check if molfile is present and valid
+        if molfile is not None and molfile.strip() != "":
+            cs.molfile = molfile
 
         if "normalized_structure" in kwargs:
             cs.normalized_structure = kwargs["normalized_structure"]
@@ -2023,6 +2027,7 @@ class Pathway(EnviPathModel, AliasMixin, ScenarioMixin, AdditionalInformationMix
                 # add links start -> pseudo
                 new_link = {
                     "name": link["name"],
+                    "plain_name": link["plain_name"],
                     "id": link["id"],
                     "url": link["url"],
                     "image": link["image"],
@@ -2032,6 +2037,7 @@ class Pathway(EnviPathModel, AliasMixin, ScenarioMixin, AdditionalInformationMix
                     "source": node_url_to_idx[link["start_node_urls"][0]],
                     "target": pseudo_idx,
                     "app_domain": link.get("app_domain", None),
+                    "to_pseudo": True,
                 }
                 adjusted_links.append(new_link)
 
@@ -2039,6 +2045,7 @@ class Pathway(EnviPathModel, AliasMixin, ScenarioMixin, AdditionalInformationMix
                 for target in link["end_node_urls"]:
                     new_link = {
                         "name": link["name"],
+                        "plain_name": link["plain_name"],
                         "id": link["id"],
                         "url": link["url"],
                         "image": link["image"],
@@ -2049,6 +2056,7 @@ class Pathway(EnviPathModel, AliasMixin, ScenarioMixin, AdditionalInformationMix
                         "target": node_url_to_idx[target],
                         "app_domain": link.get("app_domain", None),
                         "multi_step": link["multi_step"],
+                        "from_pseudo": True,
                     }
                     adjusted_links.append(new_link)
 
@@ -2359,17 +2367,19 @@ class Node(EnviPathModel, AliasMixin, ScenarioMixin, AdditionalInformationMixin)
     def _url(self):
         return "{}/node/{}".format(self.pathway.url, self.uuid)
 
-    def get_name(self):
+    def get_name(self, include_suffix=True):
         non_generic_name = True
 
-        if self.name == "no name":
+        if self.name is None or self.name == "no name":
             non_generic_name = False
 
-        return (
+        if non_generic_name:
-            self.name
+            return self.name
-            if non_generic_name
+        else:
-            else f"{self.default_node_label.name} (taken from underlying structure)"
+            if include_suffix:
-        )
+                return f"{self.default_node_label.name} (taken from underlying structure)"
+            else:
+                return self.default_node_label.name
 
     def d3_json(self):
         app_domain_data = self.get_app_domain_assessment_data()
@@ -2399,6 +2409,7 @@ class Node(EnviPathModel, AliasMixin, ScenarioMixin, AdditionalInformationMixin)
             ),
             "image_type": "svg",
             "name": self.get_name(),
+            "plain_name": self.get_name(include_suffix=False),
             "smiles": self.default_node_label.smiles,
             "scenarios": [{"name": s.get_name(), "url": s.url} for s in self.scenarios.all()],
             "app_domain": {
@@ -2505,6 +2516,28 @@ class Node(EnviPathModel, AliasMixin, ScenarioMixin, AdditionalInformationMixin)
 
         return res
 
+    def is_proposed_intermediate(self):
+        collected = defaultdict(dict)
+        for ai in self.additional_information.filter(
+            type__in=["ProposedIntermediate", "TransformationProductImportance", "Confidence"],
+            scenario__isnull=False,
+        ):
+            collected[str(ai.scenario.uuid)]["scenarioId"] = ai.scenario.url
+            collected[str(ai.scenario.uuid)]["scenarioName"] = ai.scenario.name
+
+            if ai.type == "ProposedIntermediate":
+                collected[str(ai.scenario.uuid)]["proposed"] = True
+
+            if ai.type == "Confidence":
+                collected[str(ai.scenario.uuid)]["Confidence"] = ai.get().level
+
+            if ai.type == "TransformationProductImportance":
+                collected[str(ai.scenario.uuid)]["Transformation product importance"] = (
+                    ai.get().importance.value
+                )
+
+        return list(collected.values())
+
 
 class Edge(EnviPathModel, AliasMixin, ScenarioMixin, AdditionalInformationMixin):
     pathway = models.ForeignKey(
@@ -2526,6 +2559,7 @@ class Edge(EnviPathModel, AliasMixin, ScenarioMixin, AdditionalInformationMixin)
     def d3_json(self):
         edge_json = {
             "name": self.get_name(),
+            "plain_name": self.get_name(include_suffix=False),
             "id": self.url,
             "url": self.url,
             "image": self.url + "?image=svg",
@@ -2640,17 +2674,19 @@ class Edge(EnviPathModel, AliasMixin, ScenarioMixin, AdditionalInformationMixin)
 
         return res
 
-    def get_name(self):
+    def get_name(self, include_suffix=True):
         non_generic_name = True
 
         if self.name == "no name":
             non_generic_name = False
 
-        return (
+        if non_generic_name:
-            self.name
+            return self.name
-            if non_generic_name
+        else:
-            else f"{self.edge_label.name} (taken from underlying reaction)"
+            if include_suffix:
-        )
+                return f"{self.edge_label.name} (taken from underlying reaction)"
+            else:
+                return self.edge_label.name
 
 
 class EPModel(PolymorphicModel, EnviPathModel, AdditionalInformationMixin):

epdb/views.py

@@ -775,13 +775,11 @@ def models(request):
         }
 
         if s.ENVIFORMER_PRESENT:
-            context["model_types"]["EnviFormer"] = (
+            context["model_types"]["EnviFormer"] = {
-                {
+                "type": "enviformer",
-                    "type": "enviformer",
+                "requires_rule_packages": False,
-                    "requires_rule_packages": False,
+                "requires_data_packages": True,
-                    "requires_data_packages": True,
+            }
-                },
-            )
 
         if s.FLAGS.get("PLUGINS", False):
             for k, v in s.CLASSIFIER_PLUGINS.items():
@@ -2102,12 +2100,14 @@ def package_pathways(request, package_uuid):
         else:
             prediction_setting = current_user.prediction_settings()
 
+        is_predict_mode = pw_mode in {"predict", "incremental"}
+
         pw = Pathway.create(
             current_package,
-            stand_smiles,
+            stand_smiles if is_predict_mode else smiles,
             name=name,
             description=description,
-            predicted=pw_mode in {"predict", "incremental"},
+            predicted=is_predict_mode,
         )
 
         # set mode
@@ -2466,7 +2466,26 @@ def package_pathway_node(request, package_uuid, pathway_uuid, node_uuid):
 
             return JsonResponse({"success": current_node.url})
 
-        return HttpResponseBadRequest()
+        new_node_name = request.POST.get("node-name")
+        new_node_description = request.POST.get("node-description")
+
+        if any([new_node_name, new_node_description]):
+            if new_node_name is not None and new_node_name.strip() != "":
+                new_node_name = nh3.clean(new_node_name.strip(), tags=s.ALLOWED_HTML_TAGS).strip()
+                current_node.name = new_node_name
+
+            if new_node_description is not None and new_node_description.strip() != "":
+                new_node_description = nh3.clean(
+                    new_node_description.strip(), tags=s.ALLOWED_HTML_TAGS
+                ).strip()
+                current_node.description = new_node_description
+
+            current_node.save()
+
+            return redirect(current_node.url)
+
+        return error(request, "Node update failed!", "No changes were made to the node")
+
     else:
         return HttpResponseNotAllowed(["GET", "POST"])
 

static/css/input.css

@@ -39,3 +39,7 @@ select.select[multiple] {
   display: block;
   white-space: normal;
 }
+
+p a {
+  @apply underline;
+}

static/js/alpine/pagination.js

@@ -5,6 +5,126 @@
  */
 
 document.addEventListener('alpine:init', () => {
+
+  const basePagination = (
+    items,
+    currentPage,
+    totalPages,
+    totalItems,
+    perPage,
+    isReviewed,
+    instanceId
+  ) => ({
+    items,
+    currentPage,
+    totalPages,
+    totalItems,
+    perPage,
+    isReviewed,
+    instanceId,
+
+    get paginatedItems() {
+      return this.items;
+    },
+
+    get showingStart() {
+      if (this.totalItems === 0) return 0;
+      return (this.currentPage - 1) * this.perPage + 1;
+    },
+
+    get showingEnd() {
+      if (this.totalItems === 0) return 0;
+      return Math.min((this.currentPage - 1) * this.perPage + this.items.length, this.totalItems);
+    },
+
+    nextPage() {
+      if (this.currentPage < this.totalPages) {
+        this.fetchPage(this.currentPage + 1);
+      }
+    },
+
+    prevPage() {
+      if (this.currentPage > 1) {
+        this.fetchPage(this.currentPage - 1);
+      }
+    },
+
+    goToPage(page) {
+      if (page >= 1 && page <= this.totalPages) {
+        this.fetchPage(page);
+      }
+    },
+
+    get pageNumbers() {
+      const pages = [];
+      const total = this.totalPages;
+      const current = this.currentPage;
+
+      if (total === 0) {
+        return pages;
+      }
+
+      if (total <= 7) {
+        for (let i = 1; i <= total; i++) {
+          pages.push({ page: i, isEllipsis: false, key: `${this.instanceId}-page-${i}` });
+        }
+      } else {
+        pages.push({ page: 1, isEllipsis: false, key: `${this.instanceId}-page-1` });
+
+        let rangeStart;
+        let rangeEnd;
+
+        if (current <= 4) {
+          rangeStart = 2;
+          rangeEnd = 5;
+        } else if (current >= total - 3) {
+          rangeStart = total - 4;
+          rangeEnd = total - 1;
+        } else {
+          rangeStart = current - 1;
+          rangeEnd = current + 1;
+        }
+
+        if (rangeStart > 2) {
+          pages.push({ page: '...', isEllipsis: true, key: `${this.instanceId}-ellipsis-start` });
+        }
+
+        for (let i = rangeStart; i <= rangeEnd; i++) {
+          pages.push({ page: i, isEllipsis: false, key: `${this.instanceId}-page-${i}` });
+        }
+
+        if (rangeEnd < total - 1) {
+          pages.push({ page: '...', isEllipsis: true, key: `${this.instanceId}-ellipsis-end` });
+        }
+
+        pages.push({ page: total, isEllipsis: false, key: `${this.instanceId}-page-${total}` });
+      }
+
+      return pages;
+    }
+  });
+
+  Alpine.data('paginatedList',
+    (items, options = {}) => ({
+      ...basePagination(items,1, 0, 0, options.perPage || 50, options.isReviewed || false, options.instanceId || Math.random().toString(36).substring(2, 9),),
+
+      init() {
+        this.fetchPage(1);
+      },
+
+      async fetchPage(page) {
+        this.totalItems = this.items.length;
+        this.totalPages = Math.ceil(this.items.length / this.perPage);
+        this.currentPage = page
+
+        const start = page * this.perPage - this.perPage;
+        const end = page * this.perPage;
+        return this.items.slice(start, end);
+      }
+
+    })
+  );
+
   Alpine.data('remotePaginatedList', (options = {}) => ({
     items: [],
     currentPage: 1,

static/js/pw.js

@@ -67,6 +67,9 @@ function draw(pathway, elem) {
         const horizontalSpacing = 75; // horizontal space between nodes
         const depthMap = new Map();
 
+        // Avoid leaving unconnected Nodes leaving the viewport
+        nodes.forEach(node => {if (node.depth < 0)  node.depth = 0;});
+
         // Sort nodes by depth first to minimize crossings
         const sortedNodes = [...nodes].sort((a, b) => a.depth - b.depth);
 
@@ -154,6 +157,11 @@ function draw(pathway, elem) {
         });
 
         node.attr("transform", d => `translate(${d.x},${d.y})`);
+
+        linkText
+         .attr("x", d => (d.source.x + d.target.x) / 2)
+         .attr("y", d => (d.source.y + d.target.y) / 2);
+
     }
 
     function dragstarted(event, d) {
@@ -256,7 +264,7 @@ function draw(pathway, elem) {
     }
 
     // Wait before showing popup (ms)
-    var popupWaitBeforeShow = 1000;
+    var popupWaitBeforeShow = 750;
 
     // Custom popover element
     let popoverTimeout = null;
@@ -488,7 +496,7 @@ function draw(pathway, elem) {
         if (n.stereo_removed) {
             popupContent += "<span class='alert alert-warning alert-soft'>Removed stereochemistry for prediction</span>";
         }
-        popupContent += "<a href='" + n.url + "'>" + n.name + "</a><br>";
+        popupContent += "<a href='" + n.url + "'>" + n.plain_name + "</a><br>";
         popupContent += "Depth " + n.depth + "<br>"
 
         if (appDomainViewEnabled) {
@@ -528,6 +536,21 @@ function draw(pathway, elem) {
             popupContent += '<b>Half-lives and related scenarios:</b><br>'
             for (var s of n.scenarios) {
                 popupContent += "<a href='" + s.url + "'>" + s.name + "</a><br>";
+                for (var prop in n.proposed) {
+                    if (n.proposed[prop].scenarioId === s.url) {
+                        if("proposed" in n.proposed[prop]){
+                            popupContent += "This compound is a proposed intermediate" + "<br>";
+                        }
+                        if("Confidence" in n.proposed[prop]){
+                            popupContent += "Confidence: " + n.proposed[prop]["Confidence"] + "<br>";
+                        }
+                        if("Transformation product importance" in n.proposed[prop]){
+                            popupContent += "Transformation product importance: " + n.proposed[prop]["Transformation product importance"] + "<br>";
+                        }
+                    }
+                }
+                popupContent += "<br>";
+
             }
         }
 
@@ -540,7 +563,7 @@ function draw(pathway, elem) {
     }
 
     function edge_popup(e) {
-        popupContent = "<a href='" + e.url + "'>" + e.name + "</a><br><br>";
+        popupContent = "<a href='" + e.url + "'>" + e.plain_name + "</a><br><br>";
 
         if (e.reaction.rules) {
             for (var rule of e.reaction.rules) {
@@ -591,7 +614,7 @@ function draw(pathway, elem) {
 
     // Add background rectangle FIRST to enable pan/zoom on empty space
     // This must be inserted before zoomable group so it's behind everything
-    svg.insert("rect", "#zoomable")
+    const rect = svg.insert("rect", "#zoomable")
         .attr("x", 0)
         .attr("y", 0)
         .attr("width", width)
@@ -600,6 +623,30 @@ function draw(pathway, elem) {
         .attr("pointer-events", "all")
         .style("cursor", "grab");
 
+    // Click on empty SVG space (not on a node or link)
+    rect.on("click", function(event) {
+        // Only treat it as a background click if the direct target is the rect itself
+        // (clicks on nodes/links bubble up but originate from different elements)
+        const target = event.target;
+        const isNode = target.closest && (
+            target.closest("circle") !== null ||
+            target.closest("image") !== null ||
+            target.closest(".node") !== null
+        );
+        const isLink = target.closest && (
+            target.closest("path.link") !== null ||
+            target.closest("path.link_no_arrow") !== null
+        );
+        if (!isNode && !isLink) {
+            // console.log("Clicked outside a node or link");
+            // Clear all highlights
+            d3.selectAll("circle").classed("highlighted", false);
+            d3.selectAll("path").classed("highlighted", false);
+            d3.selectAll("path").classed("inedge", false);
+            d3.selectAll("path").classed("outedge", false);
+        }
+    });
+
     // Zoom Funktion aktivieren
     const zoom = d3.zoom()
         .scaleExtent([0.5, 5])
@@ -646,22 +693,32 @@ function draw(pathway, elem) {
         .force("center", d3.forceCenter(width / 2, height / 4))
         .on("tick", ticked);
 
-    // Kanten zeichnen
+    // Draw Edges
-    const link = zoomable.append("g")
+    const linkGroup = zoomable.append("g")
-        .selectAll("path")
+      .selectAll("g")
-        .data(links)
+      .data(links)
-        .enter().append("path")
+      .enter()
-        // Check if target is pseudo and draw marker only if not pseudo
+      .append("g")
-        .attr("class", d => d.target.pseudo ? "link_no_arrow" : "link")
+      .attr("class", "link-group");
-        .attr("marker-end", d => {
+
-            if (d.target.pseudo) return '';
+    const link = linkGroup
-            if (d.source.id === d.target.id) return 'url(#curve-arrow)'; // Use curve arrow for self-loops
+      .append("path")
-            return d.multi_step ? 'url(#doublearrow)' : 'url(#arrow)';
+      .attr("class", d => d.target.pseudo ? "link_no_arrow" : "link")
-        })
+      .attr("marker-end", d => d.target.pseudo ? "" : "url(#arrow)")
-        .attr("fill", "none")
+      .attr("fill", "none")
-        .on("click", function(event, d) {
+
+      // Check if target is pseudo and draw marker only if not pseudo
+      .attr("class", d => d.target.pseudo ? "link_no_arrow" : "link")
+      .attr("marker-end", d => {
+        if (d.target.pseudo) return '';
+        if (d.source.id === d.target.id) return 'url(#curve-arrow)'; // Use curve arrow for self-loops
+          return d.multi_step ? 'url(#doublearrow)' : 'url(#arrow)';
+        }
+      )
+      .attr("fill", "none")
+      .on("click", function(event, d) {
           const wasHighlighted = d3.select(this).classed("highlighted");
-	      d3.selectAll("path").classed("highlighted", false);
+          d3.selectAll("path").classed("highlighted", false);
           if (!wasHighlighted) {
             const toHighlight = [];
             toHighlight.push(d.el);
@@ -688,6 +745,32 @@ function draw(pathway, elem) {
           }
         });
 
+    function reaction_name(d) {
+        const to_pseudo = d?.to_pseudo || false;
+
+        if (to_pseudo) {
+            return "";
+        }
+
+        var suffix = "";
+        if ("reaction_probability" in d && d["reaction_probability"] !== null) {
+            suffix = " (p= " + d["reaction_probability"].toFixed(2) + ")"
+        }
+        return d.plain_name + suffix;
+    }
+
+    const linkText = linkGroup
+      .append("text")
+      .attr("class", "link-label")
+      .attr("text-anchor", "middle")
+      .attr("dy", -6)
+      .style("font-size", "4px")
+      .style("pointer-events", "none")
+      .style("display", "none")
+      .text(d => reaction_name(d))
+      .attr("x", d => (d.source.x + d.target.x) / 2)
+      .attr("y", d => (d.source.y + d.target.y) / 2);
+
     // add element to links array
     link.each(function (d) {
         d.el = this;  // attach the DOM element to the data object
@@ -695,7 +778,7 @@ function draw(pathway, elem) {
 
     pop_add(link, "Reaction", edge_popup);
 
-    // Knoten zeichnen
+    // Draw Nodes
     const node = zoomable.append("g")
         .selectAll("g")
         .data(nodes)

templates/objects/node.html

@@ -55,6 +55,14 @@
       </div>
     </div>
 
+    <!-- Description -->
+    {% if node.description and node.description != "no description" %}
+      <div class="collapse-arrow bg-base-200 collapse">
+        <input type="checkbox" checked />
+        <div class="collapse-title text-xl font-medium">Description</div>
+        <div class="collapse-content">{{ node.description }}</div>
+      </div>
+    {% endif %}
     {% epdb_slot_templates "epdb.objects.node.viz" as viz_templates %}
 
     {% for tpl in viz_templates %}

templates/objects/pathway.html

@@ -21,12 +21,13 @@
     .link {
       stroke: #999;
       stroke-opacity: 0.6;
-      /* marker-end: url(#arrow); */
+      stroke-width: 1.5px;
     }
 
     .link_no_arrow {
       stroke: #999;
       stroke-opacity: 0.6;
+      stroke-width: 1.5px;
     }
 
     .node image {
@@ -177,6 +178,52 @@
                   tabindex="0"
                   class="dropdown-content menu bg-base-100 rounded-box z-50 w-60 p-2"
                 >
+                  <li>
+                    <a id="compound-names-toggle-button" class="cursor-pointer">
+                      <svg
+                        id="compound-names-icon"
+                        xmlns="http://www.w3.org/2000/svg"
+                        width="16"
+                        height="16"
+                        viewBox="0 0 24 24"
+                        fill="none"
+                        stroke="currentColor"
+                        stroke-width="2"
+                        stroke-linecap="round"
+                        stroke-linejoin="round"
+                        class="lucide lucide-eye"
+                      >
+                        <path
+                          d="M2 12s3-7 10-7 10 7 10 7-3 7-10 7-10-7-10-7Z"
+                        />
+                        <circle cx="12" cy="12" r="3" />
+                      </svg>
+                      Compound Names
+                    </a>
+                  </li>
+                  <li>
+                    <a id="reaction-names-toggle-button" class="cursor-pointer">
+                      <svg
+                        id="reaction-names-icon"
+                        xmlns="http://www.w3.org/2000/svg"
+                        width="16"
+                        height="16"
+                        viewBox="0 0 24 24"
+                        fill="none"
+                        stroke="currentColor"
+                        stroke-width="2"
+                        stroke-linecap="round"
+                        stroke-linejoin="round"
+                        class="lucide lucide-eye"
+                      >
+                        <path
+                          d="M2 12s3-7 10-7 10 7 10 7-3 7-10 7-10-7-10-7Z"
+                        />
+                        <circle cx="12" cy="12" r="3" />
+                      </svg>
+                      Reaction Names
+                    </a>
+                  </li>
                   {% if pathway.setting.model.app_domain %}
                     <li>
                       <a id="app-domain-toggle-button" class="cursor-pointer">
@@ -495,6 +542,10 @@
   {{ pathway.d3_json|json_script:"pathway" }}
 
   <script>
+    // Global switch for compound names view
+    var compoundNamesViewEnabled = false;
+    // Gloabl switch for reaction names view
+    var reactionNamesViewEnabled = false;
     // Global switch for app domain view
     var appDomainViewEnabled = false;
     // Global switch for timeseries view
@@ -530,6 +581,58 @@
         descContent.innerHTML = newDesc;
       }
 
+      const compoundNamesBtn = document.getElementById(
+        "compound-names-toggle-button",
+      );
+      if (compoundNamesBtn) {
+        compoundNamesBtn.addEventListener("click", function () {
+          compoundNamesViewEnabled = !compoundNamesViewEnabled;
+          const icon = document.getElementById("compound-names-icon");
+          if (compoundNamesViewEnabled) {
+            // Change to eye-off icon
+            icon.innerHTML =
+              '<path d="M9.88 9.88a3 3 0 1 0 4.24 4.24"/><path d="M10.73 5.08A10.43 10.43 0 0 1 12 5c7 0 10 7 10 7a13.16 13.16 0 0 1-1.67 2.68"/><path d="M6.61 6.61A13.526 13.526 0 0 0 2 12s3 7 10 7a9.74 9.74 0 0 0 5.39-1.61"/><line x1="2" x2="22" y1="2" y2="22"/>';
+            nodes.forEach((x) => {
+              if (x.name) {
+                d3.select(x.el)
+                  .append("text")
+                  .text((d) => d.plain_name)
+                  .attr("text-anchor", "middle")
+                  .attr("y", -20)
+                  .style("font-size", "4px");
+              }
+            });
+          } else {
+            // Change back to eye icon
+            icon.innerHTML =
+              '<path d="M2 12s3-7 10-7 10 7 10 7-3 7-10 7-10-7-10-7Z"/><circle cx="12" cy="12" r="3"/>';
+            nodes.forEach((x) => {
+              d3.select(x.el).select("text").remove();
+            });
+          }
+        });
+      }
+      const reactionNamesBtn = document.getElementById(
+        "reaction-names-toggle-button",
+      );
+      if (reactionNamesBtn) {
+        reactionNamesBtn.addEventListener("click", function () {
+          reactionNamesViewEnabled = !reactionNamesViewEnabled;
+          const icon = document.getElementById("reaction-names-icon");
+          if (reactionNamesViewEnabled) {
+            // Change to eye-off icon
+            icon.innerHTML =
+              '<path d="M9.88 9.88a3 3 0 1 0 4.24 4.24"/><path d="M10.73 5.08A10.43 10.43 0 0 1 12 5c7 0 10 7 10 7a13.16 13.16 0 0 1-1.67 2.68"/><path d="M6.61 6.61A13.526 13.526 0 0 0 2 12s3 7 10 7a9.74 9.74 0 0 0 5.39-1.61"/><line x1="2" x2="22" y1="2" y2="22"/>';
+            d3.selectAll(".link-label").style("display", null);
+          } else {
+            // Change back to eye icon
+            icon.innerHTML =
+              '<path d="M2 12s3-7 10-7 10 7 10 7-3 7-10 7-10-7-10-7Z"/><circle cx="12" cy="12" r="3"/>';
+            d3.selectAll(".link-label").style("display", "none");
+          }
+        });
+      }
+
       // App domain toggle
       const appDomainBtn = document.getElementById("app-domain-toggle-button");
       if (appDomainBtn) {

templates/static/login_base.html

@@ -110,8 +110,6 @@
           <div
             class="text-base-content/50 flex items-center justify-center space-x-6 text-sm"
           >
-            <a href="/legal" class="link link-hover">Legal</a>
-            <span class="text-base-content/30">•</span>
             <a href="/terms" class="link link-hover">Terms of Use</a>
             <span class="text-base-content/30">•</span>
             <a href="/privacy" class="link link-hover">Privacy Policy</a>

tests/views/test_package_views.py

@@ -72,8 +72,10 @@ class PackageViewTest(TestCase):
 
     def test_import_package(self):
         file = SimpleUploadedFile(
-            "Fixture_Package.json",
+            "EAWAG-BBD_32de3cf4-e3e6-4168-956e-32fa5ddb0ce1.json",
-            open(s.FIXTURE_DIRS[0] / "Fixture_Package.json", "rb").read(),
+            open(
+                s.FIXTURE_DIRS[0] / "EAWAG-BBD_32de3cf4-e3e6-4168-956e-32fa5ddb0ce1.json", "rb"
+            ).read(),
             content_type="application/json",
         )
 
@@ -86,10 +88,11 @@ class PackageViewTest(TestCase):
 
         p = Package.objects.get(url=package_url)
 
-        self.assertEqual(p.pathways.count(), 22)
+        self.assertEqual(p.pathways.count(), 219)
-        self.assertEqual(p.rules.count(), 45)
+        self.assertEqual(p.rules.count(), 498)
-        self.assertEqual(p.compounds.count(), 223)
+        self.assertEqual(p.compounds.count(), 1399)
-        self.assertEqual(p.reactions.count(), 212)
+        self.assertEqual(p.reactions.count(), 1480)
+        self.assertEqual(p.scenarios.count(), 1914)
 
         upp = UserPackagePermission.objects.get(package=p, user=self.user1)
         self.assertEqual(upp.permission, Permission.ALL[0])

utilities/misc.py

@@ -9,32 +9,24 @@ from datetime import datetime
 from typing import Any, Dict, List, Optional, TYPE_CHECKING
 
 from django.conf import settings as s
-from django.db import transaction
 from ninja import Schema
-from pydantic import HttpUrl
+from pydantic import HttpUrl, ValidationError
 
+from epdb.exceptions import PackageImportException
 from epdb.models import (
     AdditionalInformation,
     Compound,
     CompoundStructure,
     Edge,
-    EnviFormer,
-    EPModel,
-    ExternalDatabase,
-    ExternalIdentifier,
     License,
-    MLRelativeReasoning,
     Node,
     ParallelRule,
     Pathway,
     Reaction,
     Rule,
-    RuleBasedRelativeReasoning,
     Scenario,
     Setting,
     SimpleAmbitRule,
-    SimpleRDKitRule,
-    SimpleRule,
 )
 from utilities.chem import FormatConverter
 
@@ -88,6 +80,9 @@ class RefPathwayExportSchema(RefExportSchema): ...
 class RefScenarioExportSchema(RefExportSchema): ...
 
 
+class RefEnzymeExportSchema(RefExportSchema): ...
+
+
 ############
 # Compound #
 ############
@@ -128,7 +123,28 @@ class ReactionExportSchema(RefReactionExportSchema):
 #########
 # Rules #
 #########
-class RuleExportSchema(RefRuleExportSchema):
+class EnzymeExportSchema(RefEnzymeExportSchema):
+    ec_number: str
+    classification_level: int
+    linking_method: str
+    reaction_evidence: List[RefReactionExportSchema]
+    edge_evidence: List[RefEdgeExportSchema]
+
+
+class EnzymeRuleExportSchema(RefRuleExportSchema):
+    enzymes: List[EnzymeExportSchema] | None = None
+
+    @staticmethod
+    def resolve_enzymes(obj):
+        if isinstance(obj, dict):
+            res = []
+            for e in obj.get("enzymes", []):
+                res.append(EnzymeExportSchema.model_validate(e))
+            return res
+        return obj.enzymelink_set.all()
+
+
+class RuleExportSchema(EnzymeRuleExportSchema):
     name: str
     description: str
     aliases: List[str]
@@ -138,7 +154,7 @@ class RuleExportSchema(RefRuleExportSchema):
     scenarios: List[RefScenarioExportSchema]
 
 
-class ParallelRuleExportSchema(RefRuleExportSchema):
+class ParallelRuleExportSchema(EnzymeRuleExportSchema):
     name: str
     description: str
     aliases: List[str]
@@ -210,7 +226,7 @@ class PackageExportSchema(Schema):
     description: str
     uuid: str
     reviewed: bool
-    license: LicenseExportSchema | None
+    license: LicenseExportSchema | None = None
     compounds: List[CompoundExportSchema]
     reactions: List[ReactionExportSchema]
     simple_rules: List[RuleExportSchema]
@@ -224,6 +240,15 @@ class PackageExportSchema(Schema):
         value = obj.get("uuid") if isinstance(obj, dict) else obj.uuid
         return str(value)
 
+    @staticmethod
+    def resolve_compounds(obj):
+        res = []
+        if isinstance(obj, dict):
+            for c in obj.get("compounds", []):
+                res.append(CompoundExportSchema.model_validate(c))
+            return res
+        return obj.compounds.all()
+
     @staticmethod
     def resolve_simple_rules(obj):
         if isinstance(obj, dict):
@@ -277,51 +302,239 @@ class PackageExporter:
 
 
 class PackageImporter:
-    """
+    def __init__(self, package: Dict[str, Any], preserve_uuids: bool = False):
-    Imports package data from JSON export.
-    Handles object creation, relationship mapping, and dependency resolution.
-    """
-
-    def __init__(
-        self,
-        package: Dict[str, Any],
-        preserve_uuids: bool = False,
-        add_import_timestamp=True,
-        trust_reviewed=False,
-    ):
-        """
-        Initialize the importer.
-
-        Args:
-            preserve_uuids: If True, preserve original UUIDs. If False, generate new ones.
-        """
         self.preserve_uuids = preserve_uuids
-        self.add_import_timestamp = add_import_timestamp
-        self.trust_reviewed = trust_reviewed
-        self.uuid_mapping = {}
-        self.object_cache = {}
         self._raw_package = package
-
+        self._cache = {}
-    def _get_or_generate_uuid(self, original_uuid: str) -> str:
-        """Get mapped UUID or generate new one if not preserving UUIDs."""
-        if self.preserve_uuids:
-            return original_uuid
-
-        if original_uuid not in self.uuid_mapping:
-            self.uuid_mapping[original_uuid] = str(uuid.uuid4())
-
-        return self.uuid_mapping[original_uuid]
-
-    def _cache_object(self, model_name: str, uuid_str: str, obj):
-        """Cache a created object for later reference."""
-        self.object_cache[(model_name, uuid_str)] = obj
-
-    def _get_cached_object(self, model_name: str, uuid_str: str):
-        """Get a cached object by model name and UUID."""
-        return self.object_cache.get((model_name, uuid_str))
 
     def do_import(self) -> Package:
-        return self._import_package_from_json(self._raw_package)
+        return self._import_package_from_json()
+
+    def _import_compounds(
+        self,
+        package: Package,
+        compounds: List[CompoundExportSchema],
+    ):
+        for c in compounds:
+            new_c = Compound()
+            new_c.uuid = str(uuid.uuid4()) if not self.preserve_uuids else c.uuid
+            new_c.package = package
+            new_c.name = c.name
+            new_c.description = c.description
+            new_c.aliases = c.aliases
+            new_c.save()
+
+            self._cache[c.uuid] = new_c
+
+            for cs in c.structures:
+                new_cs = CompoundStructure()
+                new_cs.uuid = str(uuid.uuid4()) if not self.preserve_uuids else cs.uuid
+                new_cs.compound = new_c
+                new_cs.name = cs.name
+                new_cs.description = cs.description
+                new_cs.aliases = cs.aliases
+                new_cs.smiles = cs.smiles
+                new_cs.molfile = cs.molfile
+
+                new_cs.normalized_structure = cs.normalized_structure
+                new_cs.save()
+
+                self._cache[cs.uuid] = new_cs
+
+            # Now we can assigne the default_structure to the compound
+            new_c.default_structure = self._cache[c.default_structure.uuid]
+            new_c.save()
+
+    def _import_simple_rules(self, package: Package, rules: List[RuleExportSchema]):
+        for r in rules:
+            new_r = SimpleAmbitRule()
+            new_r.uuid = str(uuid.uuid4()) if not self.preserve_uuids else r.uuid
+            new_r.package = package
+            new_r.name = r.name
+            new_r.description = r.description
+            new_r.aliases = r.aliases
+            new_r.smirks = r.smirks
+            new_r.reactant_filter_smarts = r.reactant_filter_smarts
+            new_r.product_filter_smarts = r.product_filter_smarts
+            new_r.save()
+
+            self._cache[r.uuid] = new_r
+
+    def _import_composite_rules(self, package: Package, rules: List[ParallelRuleExportSchema]):
+        for r in rules:
+            new_r = ParallelRule()
+            new_r.uuid = str(uuid.uuid4()) if not self.preserve_uuids else r.uuid
+            new_r.package = package
+            new_r.name = r.name
+            new_r.description = r.description
+            new_r.aliases = r.aliases
+            new_r.save()
+
+            for sr in r.simple_rules:
+                new_r.simple_rules.add(self._cache[sr.uuid])
+
+            self._cache[r.uuid] = new_r
+
+    def _import_reactions(
+        self,
+        package: Package,
+        reactions: List[ReactionExportSchema],
+    ):
+        for r in reactions:
+            new_r = Reaction()
+            new_r.uuid = str(uuid.uuid4()) if not self.preserve_uuids else r.uuid
+            new_r.package = package
+            new_r.name = r.name
+            new_r.description = r.description
+            new_r.aliases = r.aliases
+            new_r.multi_step = r.multi_step
+            new_r.medline_references = r.medline_references
+            new_r.save()
+
+            for educt in r.educts:
+                new_r.educts.add(self._cache[educt.uuid])
+
+            for product in r.products:
+                new_r.products.add(self._cache[product.uuid])
+
+            for rule in r.rules:
+                new_r.rules.add(self._cache[rule.uuid])
+
+            self._cache[r.uuid] = new_r
+
+    def _import_pathways(self, package: Package, pathways: List[PathwayExportSchema]):
+        for pw in pathways:
+            new_pw = Pathway()
+            new_pw.uuid = str(uuid.uuid4()) if not self.preserve_uuids else pw.uuid
+            new_pw.package = package
+            new_pw.name = pw.name
+            new_pw.description = pw.description
+            new_pw.aliases = pw.aliases
+            new_pw.predicted = pw.predicted
+            new_pw.save()
+
+            self._cache[pw.uuid] = new_pw
+
+            for n in pw.nodes:
+                new_n = Node()
+                new_n.uuid = str(uuid.uuid4()) if not self.preserve_uuids else n.uuid
+                new_n.pathway = new_pw
+                new_n.name = n.name
+                new_n.description = n.description
+                new_n.aliases = n.aliases
+                new_n.default_node_label = self._cache[n.default_node_label.uuid]
+                new_n.depth = n.depth
+                new_n.stereo_removed = n.stereo_removed
+                new_n.save()
+
+                for nl in n.node_labels:
+                    new_n.node_labels.add(self._cache[nl.uuid])
+
+                self._cache[n.uuid] = new_n
+
+            for e in pw.edges:
+                new_e = Edge()
+                new_e.uuid = str(uuid.uuid4()) if not self.preserve_uuids else e.uuid
+                new_e.pathway = new_pw
+                new_e.name = e.name
+                new_e.description = e.description
+                new_e.aliases = e.aliases
+                new_e.edge_label = self._cache[e.edge_label.uuid]
+                new_e.save()
+
+                for sn in e.start_nodes:
+                    new_e.start_nodes.add(self._cache[sn.uuid])
+
+                for en in e.end_nodes:
+                    new_e.end_nodes.add(self._cache[en.uuid])
+
+                self._cache[e.uuid] = new_e
+
+    def _import_scenarios(self, package: Package, scenarios: List[ScenarioExportSchema]):
+        for scen in scenarios:
+            new_s = Scenario()
+            new_s.uuid = str(uuid.uuid4()) if not self.preserve_uuids else scen.uuid
+            new_s.package = package
+            new_s.name = scen.name
+            new_s.description = scen.description
+            new_s.scenario_date = scen.scenario_date
+            new_s.scenario_type = scen.scenario_type
+            new_s.save()
+
+            self._cache[scen.uuid] = new_s
+
+    def _import_additional_information(
+        self, package: Package, additional_information: List[AdditionalInformationExportSchema]
+    ):
+        for ai in additional_information:
+            new_ai = AdditionalInformation()
+            new_ai.uuid = str(uuid.uuid4()) if not self.preserve_uuids else ai.uuid
+            new_ai.package = package
+            new_ai.type = ai.type
+            new_ai.data = ai.data
+
+            if ai.scenario:
+                new_ai.scenario = self._cache[ai.scenario.uuid]
+
+            if ai.attach_object:
+                new_ai.content_object = self._cache[ai.attach_object.uuid]
+
+            new_ai.save()
+
+            self._cache[ai.uuid] = new_ai
+
+    def _link_scenarios_after_import(self, data: PackageExportSchema):
+        collections = [
+            data.compounds,
+            data.simple_rules,
+            data.composite_rules,
+            data.reactions,
+            data.pathways,
+            [n for pw in data.pathways for n in pw.nodes],
+            [e for pw in data.pathways for e in pw.edges],
+        ]
+
+        for coll in collections:
+            for elem in coll:
+                elem_obj = self._cache[elem.uuid]
+                for scen in elem.scenarios:
+                    elem_obj.scenarios.add(self._cache[scen.uuid])
+
+    def _import_package_from_json(
+        self,
+    ) -> Package:
+        try:
+            parsed = PackageExportSchema.model_validate(self._raw_package)
+        except ValidationError as e:
+            logger.error(f"Error validating package data: {e}")
+            raise PackageImportException("Deserialization failed")
+
+        package_uuid = str(uuid.uuid4())
+        if self.preserve_uuids:
+            package_uuid = parsed.uuid
+
+        package_license = License.objects.get(link=parsed.license.link) if parsed.license else None
+
+        package = Package()
+        package.uuid = package_uuid
+        package.name = f"{parsed.name} - Imported at {datetime.now()}"
+        package.description = parsed.description
+        package.reviewed = False
+        package.license = package_license
+
+        package.save()
+
+        # Import Elements
+        self._import_compounds(package, parsed.compounds)
+        self._import_simple_rules(package, parsed.simple_rules)
+        self._import_composite_rules(package, parsed.composite_rules)
+        self._import_reactions(package, parsed.reactions)
+        self._import_pathways(package, parsed.pathways)
+        self._import_scenarios(package, parsed.scenarios)
+        self._import_additional_information(package, parsed.additional_information)
+        self._link_scenarios_after_import(parsed)
+
+        return package
 
     @staticmethod
     def sign(data: Dict[str, Any], key: str) -> Dict[str, Any]:
@@ -339,510 +552,6 @@ class PackageImporter:
         expected = hmac.new(key.encode(), json_str.encode(), hashlib.sha256).digest()
         return hmac.compare_digest(signature, expected)
 
-    @transaction.atomic
-    def _import_package_from_json(self, package_data: Dict[str, Any]) -> Package:
-        """
-        Import a complete package from JSON data.
-
-        Args:
-            package_data: Dictionary containing the package export data
-
-        Returns:
-            The created Package instance
-        """
-        print(f"Starting import of package: {package_data['name']}")
-
-        # Create the main package
-        package = self._create_package(package_data)
-
-        # Import in dependency order
-        self._import_compounds(package, package_data.get("compounds", []))
-        self._import_structures(package, package_data.get("structures", []))
-        self._import_rules(package, package_data.get("rules", {}))
-        self._import_reactions(package, package_data.get("reactions", []))
-        self._import_pathways(package, package_data.get("pathways", []))
-        self._import_nodes(package, package_data.get("nodes", []))
-        self._import_edges(package, package_data.get("edges", []))
-        self._import_scenarios(package, package_data.get("scenarios", []))
-
-        if package_data.get("models"):
-            self._import_models(package, package_data["models"])
-
-        # Set default structures for compounds (after all structures are created)
-        self._set_default_structures(package_data.get("compounds", []))
-
-        print(f"Package import completed: {package.name}")
-        return package
-
-    def _create_package(self, package_data: Dict[str, Any]) -> Package:
-        """Create the main package object."""
-        package_uuid = self._get_or_generate_uuid(package_data["uuid"])
-
-        # Handle license
-        license_obj = None
-        if package_data.get("license"):
-            license_data = package_data["license"]
-            license_obj, _ = License.objects.get_or_create(
-                name=license_data["name"],
-                defaults={
-                    "cc_string": license_data.get("cc_string", ""),
-                    "link": license_data.get("link", ""),
-                    "image_link": license_data.get("image_link", ""),
-                },
-            )
-
-        new_name = package_data.get("name")
-        if self.add_import_timestamp:
-            new_name = f"{new_name} - Imported at {datetime.now()}"
-
-        new_reviewed = False
-        if self.trust_reviewed:
-            new_reviewed = package_data.get("reviewed", False)
-
-        package = Package.objects.create(
-            uuid=package_uuid,
-            name=new_name,
-            description=package_data["description"],
-            kv=package_data.get("kv", {}),
-            reviewed=new_reviewed,
-            license=license_obj,
-        )
-
-        self._cache_object("Package", package_data["uuid"], package)
-        print(f"Created package: {package.name}")
-        return package
-
-    def _import_compounds(self, package: Package, compounds_data: List[Dict[str, Any]]):
-        """Import compounds."""
-        print(f"Importing {len(compounds_data)} compounds...")
-
-        for compound_data in compounds_data:
-            compound_uuid = self._get_or_generate_uuid(compound_data["uuid"])
-
-            compound = Compound.objects.create(
-                uuid=compound_uuid,
-                package=package,
-                name=compound_data["name"],
-                description=compound_data["description"],
-                kv=compound_data.get("kv", {}),
-                # default_structure will be set later
-            )
-
-            # Set aliases if present
-            if compound_data.get("aliases"):
-                compound.aliases = compound_data["aliases"]
-                compound.save()
-
-            self._cache_object("Compound", compound_data["uuid"], compound)
-
-            # Handle external identifiers
-            self._create_external_identifiers(
-                compound, compound_data.get("external_identifiers", [])
-            )
-
-    def _import_structures(self, package: Package, structures_data: List[Dict[str, Any]]):
-        """Import compound structures."""
-        print(f"Importing {len(structures_data)} compound structures...")
-
-        for structure_data in structures_data:
-            structure_uuid = self._get_or_generate_uuid(structure_data["uuid"])
-            compound_uuid = structure_data["compound"]["uuid"]
-            compound = self._get_cached_object("Compound", compound_uuid)
-
-            if not compound:
-                print(f"Warning: Compound with UUID {compound_uuid} not found for structure")
-                continue
-
-            structure = CompoundStructure.objects.create(
-                uuid=structure_uuid,
-                compound=compound,
-                name=structure_data["name"],
-                description=structure_data["description"],
-                kv=structure_data.get("kv", {}),
-                smiles=structure_data["smiles"],
-                canonical_smiles=structure_data["canonical_smiles"],
-                inchikey=structure_data["inchikey"],
-                normalized_structure=structure_data.get("normalized_structure", False),
-            )
-
-            # Set aliases if present
-            if structure_data.get("aliases"):
-                structure.aliases = structure_data["aliases"]
-                structure.save()
-
-            self._cache_object("CompoundStructure", structure_data["uuid"], structure)
-
-            # Handle external identifiers
-            self._create_external_identifiers(
-                structure, structure_data.get("external_identifiers", [])
-            )
-
-    def _import_rules(self, package: Package, rules_data: Dict[str, Any]):
-        """Import all types of rules."""
-        print("Importing rules...")
-
-        # Import simple rules first
-        simple_rules_data = rules_data.get("simple_rules", [])
-        print(f"Importing {len(simple_rules_data)} simple rules...")
-
-        for rule_data in simple_rules_data:
-            self._create_simple_rule(package, rule_data)
-
-        # Import parallel rules
-        parallel_rules_data = rules_data.get("parallel_rules", [])
-        print(f"Importing {len(parallel_rules_data)} parallel rules...")
-
-        for rule_data in parallel_rules_data:
-            self._create_parallel_rule(package, rule_data)
-
-    def _create_simple_rule(self, package: Package, rule_data: Dict[str, Any]):
-        """Create a simple rule (SimpleAmbitRule or SimpleRDKitRule)."""
-        rule_uuid = self._get_or_generate_uuid(rule_data["uuid"])
-        rule_type = rule_data.get("rule_type", "SimpleRule")
-
-        common_fields = {
-            "uuid": rule_uuid,
-            "package": package,
-            "name": rule_data["name"],
-            "description": rule_data["description"],
-            "kv": rule_data.get("kv", {}),
-        }
-
-        if rule_type == "SimpleAmbitRule":
-            rule = SimpleAmbitRule.objects.create(
-                **common_fields,
-                smirks=rule_data.get("smirks", ""),
-                reactant_filter_smarts=rule_data.get("reactant_filter_smarts", ""),
-                product_filter_smarts=rule_data.get("product_filter_smarts", ""),
-            )
-        elif rule_type == "SimpleRDKitRule":
-            rule = SimpleRDKitRule.objects.create(
-                **common_fields, reaction_smarts=rule_data.get("reaction_smarts", "")
-            )
-        else:
-            rule = SimpleRule.objects.create(**common_fields)
-
-        # Set aliases if present
-        if rule_data.get("aliases"):
-            rule.aliases = rule_data["aliases"]
-            rule.save()
-
-        self._cache_object("SimpleRule", rule_data["uuid"], rule)
-        return rule
-
-    def _create_parallel_rule(self, package: Package, rule_data: Dict[str, Any]):
-        """Create a parallel rule."""
-        rule_uuid = self._get_or_generate_uuid(rule_data["uuid"])
-
-        rule = ParallelRule.objects.create(
-            uuid=rule_uuid,
-            package=package,
-            name=rule_data["name"],
-            description=rule_data["description"],
-            kv=rule_data.get("kv", {}),
-        )
-
-        # Set aliases if present
-        if rule_data.get("aliases"):
-            rule.aliases = rule_data["aliases"]
-            rule.save()
-
-        # Add simple rules
-        for simple_rule_ref in rule_data.get("simple_rules", []):
-            simple_rule = self._get_cached_object("SimpleRule", simple_rule_ref["uuid"])
-            if simple_rule:
-                rule.simple_rules.add(simple_rule)
-
-        self._cache_object("ParallelRule", rule_data["uuid"], rule)
-        return rule
-
-    def _import_reactions(self, package: Package, reactions_data: List[Dict[str, Any]]):
-        """Import reactions."""
-        print(f"Importing {len(reactions_data)} reactions...")
-
-        for reaction_data in reactions_data:
-            reaction_uuid = self._get_or_generate_uuid(reaction_data["uuid"])
-
-            reaction = Reaction.objects.create(
-                uuid=reaction_uuid,
-                package=package,
-                name=reaction_data["name"],
-                description=reaction_data["description"],
-                kv=reaction_data.get("kv", {}),
-                multi_step=reaction_data.get("multi_step", False),
-                medline_references=reaction_data.get("medline_references", []),
-            )
-
-            # Set aliases if present
-            if reaction_data.get("aliases"):
-                reaction.aliases = reaction_data["aliases"]
-                reaction.save()
-
-            # Add educts and products
-            for educt_ref in reaction_data.get("educts", []):
-                compound = self._get_cached_object("CompoundStructure", educt_ref["uuid"])
-                if compound:
-                    reaction.educts.add(compound)
-
-            for product_ref in reaction_data.get("products", []):
-                compound = self._get_cached_object("CompoundStructure", product_ref["uuid"])
-                if compound:
-                    reaction.products.add(compound)
-
-            # Add rules
-            for rule_ref in reaction_data.get("rules", []):
-                # Try to find rule in different caches
-                rule = self._get_cached_object(
-                    "SimpleRule", rule_ref["uuid"]
-                ) or self._get_cached_object("ParallelRule", rule_ref["uuid"])
-                if rule:
-                    reaction.rules.add(rule)
-
-            self._cache_object("Reaction", reaction_data["uuid"], reaction)
-
-            # Handle external identifiers
-            self._create_external_identifiers(
-                reaction, reaction_data.get("external_identifiers", [])
-            )
-
-    def _import_pathways(self, package: Package, pathways_data: List[Dict[str, Any]]):
-        """Import pathways."""
-        print(f"Importing {len(pathways_data)} pathways...")
-
-        for pathway_data in pathways_data:
-            pathway_uuid = self._get_or_generate_uuid(pathway_data["uuid"])
-
-            pathway = Pathway.objects.create(
-                uuid=pathway_uuid,
-                package=package,
-                name=pathway_data["name"],
-                description=pathway_data["description"],
-                kv=pathway_data.get("kv", {}),
-                # setting will be handled separately if needed
-            )
-
-            # Set aliases if present
-            if pathway_data.get("aliases"):
-                pathway.aliases = pathway_data["aliases"]
-                pathway.save()
-
-            self._cache_object("Pathway", pathway_data["uuid"], pathway)
-
-    def _import_nodes(self, package: Package, nodes_data: List[Dict[str, Any]]):
-        """Import pathway nodes."""
-        print(f"Importing {len(nodes_data)} nodes...")
-
-        for node_data in nodes_data:
-            node_uuid = self._get_or_generate_uuid(node_data["uuid"])
-            pathway_uuid = node_data["pathway"]["uuid"]
-            pathway = self._get_cached_object("Pathway", pathway_uuid)
-
-            if not pathway:
-                print(f"Warning: Pathway with UUID {pathway_uuid} not found for node")
-                continue
-
-            # For now, we'll set default_node_label to None and handle it later
-            # as it requires compound structures to be fully imported
-            node = Node.objects.create(
-                uuid=node_uuid,
-                pathway=pathway,
-                name=node_data["name"],
-                description=node_data["description"],
-                kv=node_data.get("kv", {}),
-                depth=node_data.get("depth", 0),
-                default_node_label=self._get_cached_object(
-                    "CompoundStructure", node_data["default_node_label"]["uuid"]
-                ),
-            )
-
-            # Set aliases if present
-            if node_data.get("aliases"):
-                node.aliases = node_data["aliases"]
-                node.save()
-
-            self._cache_object("Node", node_data["uuid"], node)
-            # Store node_data for later processing of relationships
-            node._import_data = node_data
-
-    def _import_edges(self, package: Package, edges_data: List[Dict[str, Any]]):
-        """Import pathway edges."""
-        print(f"Importing {len(edges_data)} edges...")
-
-        for edge_data in edges_data:
-            edge_uuid = self._get_or_generate_uuid(edge_data["uuid"])
-            pathway_uuid = edge_data["pathway"]["uuid"]
-            pathway = self._get_cached_object("Pathway", pathway_uuid)
-
-            if not pathway:
-                print(f"Warning: Pathway with UUID {pathway_uuid} not found for edge")
-                continue
-
-            # For now, we'll set edge_label to None and handle it later
-            edge = Edge.objects.create(
-                uuid=edge_uuid,
-                pathway=pathway,
-                name=edge_data["name"],
-                description=edge_data["description"],
-                kv=edge_data.get("kv", {}),
-                edge_label=self._get_cached_object("Reaction", edge_data["edge_label"]["uuid"]),
-            )
-
-            # Set aliases if present
-            if edge_data.get("aliases"):
-                edge.aliases = edge_data["aliases"]
-                edge.save()
-
-            # Add start and end nodes
-            for start_node_ref in edge_data.get("start_nodes", []):
-                node = self._get_cached_object("Node", start_node_ref["uuid"])
-                if node:
-                    edge.start_nodes.add(node)
-
-            for end_node_ref in edge_data.get("end_nodes", []):
-                node = self._get_cached_object("Node", end_node_ref["uuid"])
-                if node:
-                    edge.end_nodes.add(node)
-
-            self._cache_object("Edge", edge_data["uuid"], edge)
-
-    def _import_scenarios(self, package: Package, scenarios_data: List[Dict[str, Any]]):
-        """Import scenarios."""
-        print(f"Importing {len(scenarios_data)} scenarios...")
-
-        # First pass: create scenarios without parent relationships
-        for scenario_data in scenarios_data:
-            scenario_uuid = self._get_or_generate_uuid(scenario_data["uuid"])
-
-            scenario_date = None
-            if scenario_data.get("scenario_date"):
-                scenario_date = scenario_data["scenario_date"]
-
-            scenario = Scenario.objects.create(
-                uuid=scenario_uuid,
-                package=package,
-                name=scenario_data["name"],
-                description=scenario_data["description"],
-                kv=scenario_data.get("kv", {}),
-                scenario_date=scenario_date,
-                scenario_type=scenario_data.get("scenario_type"),
-                additional_information=scenario_data.get("additional_information", {}),
-            )
-
-            self._cache_object("Scenario", scenario_data["uuid"], scenario)
-            # Store scenario_data for later processing of parent relationships
-            scenario._import_data = scenario_data
-
-        # Second pass: set parent relationships
-        for scenario_data in scenarios_data:
-            if scenario_data.get("parent"):
-                scenario = self._get_cached_object("Scenario", scenario_data["uuid"])
-                parent = self._get_cached_object("Scenario", scenario_data["parent"]["uuid"])
-                if scenario and parent:
-                    scenario.parent = parent
-                    scenario.save()
-
-    def _import_models(self, package: Package, models_data: List[Dict[str, Any]]):
-        """Import EPModels."""
-        print(f"Importing {len(models_data)} models...")
-
-        for model_data in models_data:
-            model_uuid = self._get_or_generate_uuid(model_data["uuid"])
-            model_type = model_data.get("model_type", "EPModel")
-
-            common_fields = {
-                "uuid": model_uuid,
-                "package": package,
-                "name": model_data["name"],
-                "description": model_data["description"],
-                "kv": model_data.get("kv", {}),
-            }
-
-            # Add PackageBasedModel fields if present
-            if "threshold" in model_data:
-                common_fields.update(
-                    {
-                        "threshold": model_data.get("threshold"),
-                        "eval_results": model_data.get("eval_results", {}),
-                        "model_status": model_data.get("model_status", "INITIAL"),
-                    }
-                )
-
-            # Create the appropriate model type
-            if model_type == "RuleBasedRelativeReasoning":
-                model = RuleBasedRelativeReasoning.objects.create(
-                    **common_fields,
-                    min_count=model_data.get("min_count", 1),
-                    max_count=model_data.get("max_count", 10),
-                )
-            elif model_type == "MLRelativeReasoning":
-                model = MLRelativeReasoning.objects.create(**common_fields)
-            elif model_type == "EnviFormer":
-                model = EnviFormer.objects.create(**common_fields)
-            else:
-                model = EPModel.objects.create(**common_fields)
-
-            # Set aliases if present
-            if model_data.get("aliases"):
-                model.aliases = model_data["aliases"]
-                model.save()
-
-            # Add package relationships for PackageBasedModel
-            if hasattr(model, "rule_packages"):
-                for pkg_ref in model_data.get("rule_packages", []):
-                    pkg = self._get_cached_object("Package", pkg_ref["uuid"])
-                    if pkg:
-                        model.rule_packages.add(pkg)
-
-                for pkg_ref in model_data.get("data_packages", []):
-                    pkg = self._get_cached_object("Package", pkg_ref["uuid"])
-                    if pkg:
-                        model.data_packages.add(pkg)
-
-                for pkg_ref in model_data.get("eval_packages", []):
-                    pkg = self._get_cached_object("Package", pkg_ref["uuid"])
-                    if pkg:
-                        model.eval_packages.add(pkg)
-
-            self._cache_object("EPModel", model_data["uuid"], model)
-
-    def _set_default_structures(self, compounds_data: List[Dict[str, Any]]):
-        """Set default structures for compounds after all structures are created."""
-        print("Setting default structures for compounds...")
-
-        for compound_data in compounds_data:
-            if compound_data.get("default_structure"):
-                compound = self._get_cached_object("Compound", compound_data["uuid"])
-                structure = self._get_cached_object(
-                    "CompoundStructure", compound_data["default_structure"]["uuid"]
-                )
-                if compound and structure:
-                    compound.default_structure = structure
-                    compound.save()
-
-    def _create_external_identifiers(self, obj, identifiers_data: List[Dict[str, Any]]):
-        """Create external identifiers for an object."""
-        for identifier_data in identifiers_data:
-            # Get or create the external database
-            db_data = identifier_data["database"]
-            database, _ = ExternalDatabase.objects.get_or_create(
-                name=db_data["name"],
-                defaults={
-                    "base_url": db_data.get("base_url", ""),
-                    "full_name": db_data.get("name", ""),
-                    "description": "",
-                    "is_active": True,
-                },
-            )
-
-            # Create the external identifier
-            ExternalIdentifier.objects.create(
-                content_object=obj,
-                database=database,
-                identifier_value=identifier_data["identifier_value"],
-                url=identifier_data.get("url", ""),
-                is_primary=identifier_data.get("is_primary", False),
-            )
-
 
 class PathwayUtils:
     def __init__(self, pathway: "Pathway"):