@mat3ra/wode 2026.4.9-0 → 2026.5.29-0

package/dist/js/utils/workflow.js

@@ -0,0 +1,67 @@
+"use strict";
+var __importDefault = (this && this.__importDefault) || function (mod) {
+    return (mod && mod.__esModule) ? mod : { "default": mod };
+};
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.getUsedApplications = getUsedApplications;
+exports.getSystemName = getSystemName;
+exports.getUsedModels = getUsedModels;
+exports.getDefaultDescription = getDefaultDescription;
+exports.getProperties = getProperties;
+exports.getHumanReadableProperties = getHumanReadableProperties;
+exports.getHumanReadableUsedModels = getHumanReadableUsedModels;
+exports.resetUnitsStatuses = resetUnitsStatuses;
+const tree_1 = require("@mat3ra/mode/dist/js/tree");
+const underscore_string_1 = __importDefault(require("underscore.string"));
+const baseUnits_1 = require("./baseUnits");
+function getUsedApplications(workflow) {
+    const swApplications = workflow.subworkflows.map((sw) => sw.application);
+    const nestedWorkflows = workflow.workflows;
+    const wfApplications = nestedWorkflows.map(getUsedApplications).flat();
+    return [...swApplications, ...wfApplications].reduce((acc, app) => {
+        if (!acc.some((a) => a.name === app.name)) {
+            acc.push(app);
+        }
+        return acc;
+    }, []);
+}
+function getSystemName(workflow) {
+    const applicationNames = getUsedApplications(workflow).map((a) => a.name);
+    return underscore_string_1.default.slugify(`${applicationNames.join(":")}-${workflow.name}`);
+}
+function getUsedModels(workflow) {
+    return workflow.subworkflows.map((sw) => sw.model.type);
+}
+function getDefaultDescription(workflow) {
+    const applicationNames = getUsedApplications(workflow).map((a) => a.name);
+    return `${getUsedModels(workflow)
+        .join(", ")
+        .toUpperCase()} workflow using ${applicationNames.join(", ")}.`;
+}
+function getProperties(workflow) {
+    return [...new Set(workflow.subworkflows.map((sw) => sw.properties || []).flat())];
+}
+function getHumanReadableProperties(workflow) {
+    return getProperties(workflow).map((name) => name
+        .split("_")
+        .map((w) => w.charAt(0).toUpperCase() + w.slice(1).toLowerCase())
+        .join(" "));
+}
+function getHumanReadableUsedModels(workflow) {
+    return getUsedModels(workflow)
+        .filter((m) => m !== "unknown")
+        .map((m) => tree_1.MODEL_NAMES[m]);
+}
+function resetUnitsStatuses(workflow) {
+    var _a;
+    return {
+        ...workflow,
+        subworkflows: workflow.subworkflows.map((subworkflow) => {
+            return {
+                ...subworkflow,
+                units: subworkflow.units.map(baseUnits_1.resetStatus),
+            };
+        }),
+        workflows: (_a = workflow.workflows) === null || _a === void 0 ? void 0 : _a.map((wf) => resetUnitsStatuses(wf)),
+    };
+}

package/dist/js/utils.js

@@ -22,7 +22,6 @@ function setUnitsHead(units) {
   return units;
 }
 
-// TODO: fix setNextLinks on unit removal and convergence logic.
 /**
  * @summary Re-establishes the linked `next => flowchartId` logic in an array of units
  * @params units {Unit[]}
@@ -31,12 +30,8 @@ function setUnitsHead(units) {
 function setNextLinks(units) {
   const flowchartIds = units.map(u => u.flowchartId);
   for (let i = 0; i < units.length - 1; i++) {
-    if (!units[i].next) {
-      // newly added units don't have next set yet => set it
-      units[i].next = units[i + 1].flowchartId;
-      if (i > 0) units[i - 1].next = units[i].flowchartId;
-    } else if (!flowchartIds.includes(units[i].next)) {
-      // newly removed units may create broken next links => fix it
+    if (!units[i].next || !flowchartIds.includes(units[i].next)) {
+      // newly added units don't have next set yet, or removed units created broken links => fix it
       units[i].next = units[i + 1].flowchartId;
     }
   }

package/dist/js/workflows/default.d.ts

@@ -0,0 +1,3 @@
+import type { WorkflowSchema } from "@mat3ra/esse/dist/js/types";
+declare const defaultWorkflowConfig: WorkflowSchema;
+export default defaultWorkflowConfig;

package/dist/js/workflows/default.js

@@ -1,41 +1,45 @@
 "use strict";
-
-Object.defineProperty(exports, "__esModule", {
-  value: true
-});
-exports.default = void 0;
-var _default = exports.default = {
-  name: "New Workflow",
-  properties: [],
-  subworkflows: [{
-    _id: "c6e9dbbee8929de01f4e76ee",
-    application: {
-      name: "espresso",
-      summary: "Quantum Espresso",
-      version: "6.3"
-    },
-    model: {
-      method: {
-        subtype: "us",
-        type: "pseudopotential"
-      },
-      subtype: "gga",
-      type: "dft"
-    },
-    name: "New Subworkflow",
+Object.defineProperty(exports, "__esModule", { value: true });
+const defaultWorkflowConfig = {
+    name: "New Workflow",
     properties: [],
-    units: []
-  }],
-  workflows: [],
-  units: [{
-    _id: "c6e9dbbee8929de01f4e76ee",
-    flowchartId: "da2c090ede4dc2fa6e66647f",
-    head: true,
-    monitors: [],
-    postProcessors: [],
-    preProcessors: [],
-    results: [],
-    type: "subworkflow",
-    name: "New Subworkflow"
-  }]
-};
+    subworkflows: [
+        {
+            _id: "c6e9dbbee8929de01f4e76ee",
+            application: {
+                name: "espresso",
+                shortName: "espresso",
+                summary: "Quantum Espresso",
+                build: "6.3",
+                version: "6.3",
+            },
+            model: {
+                method: {
+                    subtype: "us",
+                    type: "pseudopotential",
+                },
+                subtype: "gga",
+                type: "dft",
+                functional: "other",
+            },
+            name: "New Subworkflow",
+            properties: [],
+            units: [],
+        },
+    ],
+    workflows: [],
+    units: [
+        {
+            _id: "c6e9dbbee8929de01f4e76ee",
+            flowchartId: "da2c090ede4dc2fa6e66647f",
+            head: true,
+            monitors: [],
+            postProcessors: [],
+            preProcessors: [],
+            results: [],
+            type: "subworkflow",
+            name: "New Subworkflow",
+        },
+    ],
+};
+exports.default = defaultWorkflowConfig;