update: save kgird data to context

dist/js/context/providers/PointsGrid/PointsGridFormDataProvider.d.ts

@@ -33,6 +33,9 @@ declare abstract class PointsGridFormDataProvider<N extends Schema["name"]> exte
     private initInstanceFields;
     private getDefaultGridMetricValue;
     private resolveGridMetricValue;
+    /** Keep gridMetricValue and dimensions consistent (both preferGridMetric modes). */
+    private dataWithEffectiveGridMetric;
+    private applyGridMetricInstanceFields;
     getData(): Data;
     getDefaultData(): PointsGridDataProviderSchema;
     protected get jsonSchemaPatchConfig(): {

dist/js/context/providers/PointsGrid/PointsGridFormDataProvider.js

@@ -68,18 +68,39 @@ class PointsGridFormDataProvider extends JSONSchemaFormDataProvider_1.default {
         const isValid = gridMetricType === "KPPRA" ? gridMetricValue >= 1 : gridMetricValue > 0;
         return isValid ? gridMetricValue : this.getDefaultGridMetricValue(gridMetricType);
     }
-    getData() {
-        const data = super.getData();
-        const { preferGridMetric, gridMetricType, gridMetricValue } = data;
-        if (!preferGridMetric || !gridMetricType) {
-            return data;
+    /** Keep gridMetricValue and dimensions consistent (both preferGridMetric modes). */
+    dataWithEffectiveGridMetric(data) {
+        const { preferGridMetric, gridMetricType, gridMetricValue, dimensions } = data;
+        if (preferGridMetric && gridMetricType) {
+            const effectiveValue = this.resolveGridMetricValue(gridMetricType, gridMetricValue);
+            return {
+                ...data,
+                gridMetricValue: effectiveValue,
+                dimensions: this.calculateDimensions(gridMetricType, effectiveValue),
+            };
         }
-        const effectiveValue = this.resolveGridMetricValue(gridMetricType, gridMetricValue);
-        return {
-            ...data,
-            gridMetricValue: effectiveValue,
-            dimensions: this.calculateDimensions(gridMetricType, effectiveValue),
-        };
+        if (!preferGridMetric && gridMetricType && dimensions.every((d) => typeof d === "number")) {
+            return {
+                ...data,
+                gridMetricValue: this.calculateGridMetric(gridMetricType, dimensions),
+            };
+        }
+        return data;
+    }
+    applyGridMetricInstanceFields(data) {
+        const { gridMetricType, preferGridMetric, gridMetricValue } = data;
+        if (preferGridMetric !== undefined) {
+            this.preferGridMetric = preferGridMetric;
+        }
+        if (gridMetricType !== undefined) {
+            this.gridMetricType = gridMetricType;
+        }
+        if (gridMetricValue !== undefined) {
+            this.gridMetricValue = gridMetricValue;
+        }
+    }
+    getData() {
+        return this.dataWithEffectiveGridMetric(super.getData());
     }
     getDefaultData() {
         const defaultData = {
@@ -236,34 +257,9 @@ class PointsGridFormDataProvider extends JSONSchemaFormDataProvider_1.default {
         }
     }
     setData(data) {
-        const { dimensions, gridMetricType, preferGridMetric, gridMetricValue } = data;
-        if (preferGridMetric !== undefined) {
-            this.preferGridMetric = preferGridMetric;
-        }
-        if (gridMetricType !== undefined) {
-            this.gridMetricType = gridMetricType;
-        }
-        if (preferGridMetric && gridMetricType) {
-            const effectiveValue = this.resolveGridMetricValue(gridMetricType, gridMetricValue);
-            this.gridMetricValue = effectiveValue;
-            return super.setData({
-                ...data,
-                gridMetricValue: effectiveValue,
-                dimensions: this.calculateDimensions(gridMetricType, effectiveValue),
-            });
-        }
-        if (!preferGridMetric && dimensions.every((d) => typeof d === "number")) {
-            const derivedMetric = this.calculateGridMetric(gridMetricType, dimensions);
-            this.gridMetricValue = derivedMetric;
-            return super.setData({
-                ...data,
-                gridMetricValue: derivedMetric,
-            });
-        }
-        if (gridMetricValue !== undefined) {
-            this.gridMetricValue = gridMetricValue;
-        }
-        return super.setData(data);
+        const synced = this.dataWithEffectiveGridMetric(data);
+        this.applyGridMetricInstanceFields(synced);
+        return super.setData(synced);
     }
 }
 (0, MaterialContextMixin_1.default)(PointsGridFormDataProvider.prototype);

dist/js/context/providers/PointsGrid/kgridPrecision.d.ts

@@ -0,0 +1,12 @@
+import type { PointsGridDataProviderSchema } from "@mat3ra/esse/dist/js/types";
+import type { MaterialExternalContext } from "../../mixins/MaterialContextMixin";
+type UnitContext = Array<{
+    name?: string;
+    data?: PointsGridDataProviderSchema;
+}> | unknown;
+export declare function getKgridDataFromUnitContext(context: UnitContext): PointsGridDataProviderSchema | undefined;
+export declare function getEffectiveKgridPrecision(kgridData: PointsGridDataProviderSchema, externalContext: MaterialExternalContext): {
+    value: number;
+    metric: NonNullable<PointsGridDataProviderSchema["gridMetricType"]>;
+};
+export {};

dist/js/context/providers/PointsGrid/kgridPrecision.js

@@ -0,0 +1,31 @@
+"use strict";
+var __importDefault = (this && this.__importDefault) || function (mod) {
+    return (mod && mod.__esModule) ? mod : { "default": mod };
+};
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.getKgridDataFromUnitContext = getKgridDataFromUnitContext;
+exports.getEffectiveKgridPrecision = getEffectiveKgridPrecision;
+const KGridFormDataManager_1 = __importDefault(require("./KGridFormDataManager"));
+function getKgridDataFromUnitContext(context) {
+    if (!context) {
+        return undefined;
+    }
+    if (Array.isArray(context)) {
+        const item = context.find((entry) => (entry === null || entry === void 0 ? void 0 : entry.name) === "kgrid");
+        return item === null || item === void 0 ? void 0 : item.data;
+    }
+    if (typeof context === "object" && context !== null && "kgrid" in context) {
+        return context.kgrid;
+    }
+    return undefined;
+}
+function getEffectiveKgridPrecision(kgridData, externalContext) {
+    var _a, _b;
+    const provider = new KGridFormDataManager_1.default({ name: "kgrid", data: kgridData }, externalContext);
+    provider.setData(provider.getData());
+    const normalized = provider.getData();
+    return {
+        value: (_a = normalized.gridMetricValue) !== null && _a !== void 0 ? _a : -1,
+        metric: (_b = normalized.gridMetricType) !== null && _b !== void 0 ? _b : "KPPRA",
+    };
+}

dist/js/context/providers/base/ContextProvider.d.ts

@@ -58,6 +58,8 @@ DataForRendering = S["data"]> {
     setIsEdited(isEdited: boolean): void;
     getData(): S["data"];
     setData(data: S["data"]): void;
+    /** Re-run `setData` normalization before persisting (e.g. derive grid metric from dimensions). */
+    syncPersistentData(): void;
     /**
      * Derive template-facing `data` from persisted `data`. Override when the template needs fields
      * that must not be stored (e.g. coordinates from symmetry point names + lattice).

dist/js/context/providers/base/ContextProvider.js

@@ -50,6 +50,10 @@ class ContextProvider {
     setData(data) {
         this.data = utils_1.Utils.clone.deepClone(data);
     }
+    /** Re-run `setData` normalization before persisting (e.g. derive grid metric from dimensions). */
+    syncPersistentData() {
+        this.setData(this.getData());
+    }
     /**
      * Derive template-facing `data` from persisted `data`. Override when the template needs fields
      * that must not be stored (e.g. coordinates from symmetry point names + lattice).

dist/js/units/ExecutionUnit.js

@@ -11,6 +11,8 @@ const enums_1 = require("../enums");
 const ExecutionUnitSchemaMixin_1 = require("../generated/ExecutionUnitSchemaMixin");
 const BaseUnit_1 = __importDefault(require("./BaseUnit"));
 const ExecutionUnitInput_1 = __importDefault(require("./ExecutionUnitInput"));
+/** Context items always serialized on the unit so rupy can store them in scope after execution. */
+const CONTEXT_SCOPE_ITEMS = new Set(["kgrid"]);
 class ExecutionUnit extends BaseUnit_1.default {
     static get jsonSchema() {
         return JSONSchemasInterface_1.default.getSchemaById("workflow/unit/execution");
@@ -147,8 +149,11 @@ class ExecutionUnit extends BaseUnit_1.default {
         });
     }
     savePersistentContext() {
+        this.contextProvidersInstances
+            .filter((p) => CONTEXT_SCOPE_ITEMS.has(p.name))
+            .forEach((p) => p.syncPersistentData());
         const persistentItems = this.contextProvidersInstances.map((p) => p.getContextItemData());
-        this.context = persistentItems.filter((c) => c.isEdited);
+        this.context = persistentItems.filter((c) => c.isEdited || CONTEXT_SCOPE_ITEMS.has(c.name));
     }
     saveRenderingContext(externalContext) {
         const renderingItems = this.contextProvidersInstances.map((p) => p.getContextItemDataForRendering());

src/js/context/providers/PointsGrid/PointsGridFormDataProvider.ts

@@ -134,21 +134,44 @@ abstract class PointsGridFormDataProvider<
         return isValid ? gridMetricValue : this.getDefaultGridMetricValue(gridMetricType);
     }
 
-    getData(): Data {
-        const data = super.getData();
-        const { preferGridMetric, gridMetricType, gridMetricValue } = data;
+    /** Keep gridMetricValue and dimensions consistent (both preferGridMetric modes). */
+    private dataWithEffectiveGridMetric(data: Data): Data {
+        const { preferGridMetric, gridMetricType, gridMetricValue, dimensions } = data;
 
-        if (!preferGridMetric || !gridMetricType) {
-            return data;
+        if (preferGridMetric && gridMetricType) {
+            const effectiveValue = this.resolveGridMetricValue(gridMetricType, gridMetricValue);
+            return {
+                ...data,
+                gridMetricValue: effectiveValue,
+                dimensions: this.calculateDimensions(gridMetricType, effectiveValue),
+            };
         }
 
-        const effectiveValue = this.resolveGridMetricValue(gridMetricType, gridMetricValue);
+        if (!preferGridMetric && gridMetricType && dimensions.every((d) => typeof d === "number")) {
+            return {
+                ...data,
+                gridMetricValue: this.calculateGridMetric(gridMetricType, dimensions),
+            };
+        }
 
-        return {
-            ...data,
-            gridMetricValue: effectiveValue,
-            dimensions: this.calculateDimensions(gridMetricType, effectiveValue),
-        };
+        return data;
+    }
+
+    private applyGridMetricInstanceFields(data: Data) {
+        const { gridMetricType, preferGridMetric, gridMetricValue } = data;
+        if (preferGridMetric !== undefined) {
+            this.preferGridMetric = preferGridMetric;
+        }
+        if (gridMetricType !== undefined) {
+            this.gridMetricType = gridMetricType;
+        }
+        if (gridMetricValue !== undefined) {
+            this.gridMetricValue = gridMetricValue;
+        }
+    }
+
+    getData(): Data {
+        return this.dataWithEffectiveGridMetric(super.getData());
     }
 
     getDefaultData() {
@@ -328,41 +351,9 @@ abstract class PointsGridFormDataProvider<
     }
 
     setData(data: Data) {
-        const { dimensions, gridMetricType, preferGridMetric, gridMetricValue } = data;
-
-        if (preferGridMetric !== undefined) {
-            this.preferGridMetric = preferGridMetric;
-        }
-        if (gridMetricType !== undefined) {
-            this.gridMetricType = gridMetricType;
-        }
-
-        if (preferGridMetric && gridMetricType) {
-            const effectiveValue = this.resolveGridMetricValue(gridMetricType, gridMetricValue);
-            this.gridMetricValue = effectiveValue;
-
-            return super.setData({
-                ...data,
-                gridMetricValue: effectiveValue,
-                dimensions: this.calculateDimensions(gridMetricType, effectiveValue),
-            });
-        }
-
-        if (!preferGridMetric && dimensions.every((d) => typeof d === "number")) {
-            const derivedMetric = this.calculateGridMetric(gridMetricType, dimensions);
-            this.gridMetricValue = derivedMetric;
-
-            return super.setData({
-                ...data,
-                gridMetricValue: derivedMetric,
-            });
-        }
-
-        if (gridMetricValue !== undefined) {
-            this.gridMetricValue = gridMetricValue;
-        }
-
-        return super.setData(data);
+        const synced = this.dataWithEffectiveGridMetric(data);
+        this.applyGridMetricInstanceFields(synced);
+        return super.setData(synced);
     }
 }
 

src/js/context/providers/base/ContextProvider.ts

@@ -105,6 +105,11 @@ abstract class ContextProvider<
         this.data = Utils.clone.deepClone(data);
     }
 
+    /** Re-run `setData` normalization before persisting (e.g. derive grid metric from dimensions). */
+    syncPersistentData() {
+        this.setData(this.getData());
+    }
+
     /**
      * Derive template-facing `data` from persisted `data`. Override when the template needs fields
      * that must not be stored (e.g. coordinates from symmetry point names + lattice).

src/js/units/ExecutionUnit.ts

@@ -34,6 +34,9 @@ type SetExecutableProps = {
     flavorName?: string;
 };
 
+/** Context items always serialized on the unit so rupy can store them in scope after execution. */
+const CONTEXT_SCOPE_ITEMS = new Set(["kgrid"]);
+
 class ExecutionUnit extends (BaseUnit as Base) implements Schema {
     inputInstances: ExecutionUnitInput[] = [];
 
@@ -228,8 +231,12 @@ class ExecutionUnit extends (BaseUnit as Base) implements Schema {
     }
 
     savePersistentContext() {
+        this.contextProvidersInstances
+            .filter((p) => CONTEXT_SCOPE_ITEMS.has(p.name))
+            .forEach((p) => p.syncPersistentData());
+
         const persistentItems = this.contextProvidersInstances.map((p) => p.getContextItemData());
-        this.context = persistentItems.filter((c) => c.isEdited);
+        this.context = persistentItems.filter((c) => c.isEdited || CONTEXT_SCOPE_ITEMS.has(c.name));
     }
 
     saveRenderingContext(externalContext: ExternalContext) {