@exabyte-io/wode.js - npm Package Compare versions

Comparing version 2024.3.29-0 to 2024.4.5-0

dist/context/providers.js

@@ -154,5 +154,5 @@ "use strict";
     config: _makeImportant({
-      name: "starting_magnetization"
+      name: "collinearMagnetization"
     })
   }
 };

dist/context/providers/CollinearMagnetizationContextProvider.js

@@ -9,3 +9,5 @@ "use strict";
 var _made = require("@mat3ra/made");
+var _lodash = _interopRequireDefault(require("lodash"));
 var _mixwith = require("mixwith");
+function _interopRequireDefault(obj) { return obj && obj.__esModule ? obj : { default: obj }; }
 function _defineProperty(obj, key, value) { key = _toPropertyKey(key); if (key in obj) { Object.defineProperty(obj, key, { value: value, enumerable: true, configurable: true, writable: true }); } else { obj[key] = value; } return obj; }
@@ -15,4 +17,5 @@ function _toPropertyKey(t) { var i = _toPrimitive(t, "string"); return "symbol" == typeof i ? i : String(i); }
 class CollinearMagnetizationContextProvider extends (0, _mixwith.mix)(_context.JSONSchemaFormDataProvider).with(_context.MaterialContextMixin) {
-  constructor(...args) {
-    super(...args);
+  constructor(config) {
+    var _this$uniqueElementsW;
+    super(config);
     _defineProperty(this, "indexOfElement", element => {
@@ -22,7 +25,13 @@ return this.uniqueElementsWithLabels.indexOf(element) + 1;
     _defineProperty(this, "transformData", data => {
-      return data.map(row => ({
+      const startingMagnetizationWithIndex = data.startingMagnetization.map(row => ({
         ...row,
         index: this.indexOfElement(row.atomicSpecies)
       }));
+      return {
+        ...data,
+        startingMagnetization: startingMagnetizationWithIndex
+      };
     });
+    this.firstElement = ((_this$uniqueElementsW = this.uniqueElementsWithLabels) === null || _this$uniqueElementsW === void 0 ? void 0 : _this$uniqueElementsW.length) > 0 ? this.uniqueElementsWithLabels[0] : "";
+    this.isTotalMagnetization = _lodash.default.get(this.data, "isTotalMagnetization", false);
   }
@@ -34,23 +43,31 @@ get uniqueElementsWithLabels() {
   }
-  // eslint-disable-next-line class-methods-use-this
   get defaultData() {
-    var _this$uniqueElementsW;
-    return [{
-      index: 1,
-      atomicSpecies: ((_this$uniqueElementsW = this.uniqueElementsWithLabels) === null || _this$uniqueElementsW === void 0 ? void 0 : _this$uniqueElementsW.length) > 0 ? this.uniqueElementsWithLabels[0] : "",
-      value: 0.0
-    }];
+    return {
+      startingMagnetization: [{
+        index: 1,
+        atomicSpecies: this.firstElement,
+        value: 0.0
+      }],
+      isTotalMagnetization: false,
+      totalMagnetization: 0.0
+    };
   }
+  // eslint-disable-next-line class-methods-use-this
   get uiSchemaStyled() {
     return {
-      "ui:options": {
-        addable: true,
-        orderable: false,
-        removable: true
+      startingMagnetization: {
+        items: {
+          atomicSpecies: {
+            "ui:classNames": "col-xs-3"
+          },
+          value: {
+            "ui:classNames": "col-xs-6"
+          }
+        },
+        "ui:readonly": this.isTotalMagnetization
       },
-      items: {
-        atomicSpecies: this.defaultFieldStyles,
-        value: {
-          "ui:classNames": "col-xs-6 "
-        }
+      isTotalMagnetization: {},
+      totalMagnetization: {
+        "ui:classNames": "col-xs-6",
+        "ui:readonly": !this.isTotalMagnetization
       }
@@ -60,24 +77,39 @@ };
   get jsonSchema() {
-    var _this$uniqueElementsW2;
     return {
-      $schema: "http://json-schema.org/draft-04/schema#",
+      $schema: "http://json-schema.org/draft-07/schema#",
       title: "",
       description: "Set starting magnetization, can have values in the range [-1, +1].",
-      type: "array",
-      items: {
-        type: "object",
-        properties: {
-          atomicSpecies: {
-            type: "string",
-            title: "Atomic species",
-            enum: this.uniqueElementsWithLabels,
-            default: ((_this$uniqueElementsW2 = this.uniqueElementsWithLabels) === null || _this$uniqueElementsW2 === void 0 ? void 0 : _this$uniqueElementsW2.length) > 0 ? this.uniqueElementsWithLabels[0] : ""
-          },
-          value: {
-            type: "number",
-            title: "Starting magnetization",
-            default: 0.0,
-            minimum: -1.0,
-            maximum: 1.0
+      type: "object",
+      properties: {
+        startingMagnetization: {
+          type: "array",
+          maxItems: this.uniqueElementsWithLabels.length,
+          items: {
+            type: "object",
+            properties: {
+              atomicSpecies: {
+                type: "string",
+                title: "Atomic species",
+                enum: this.uniqueElementsWithLabels,
+                default: this.firstElement
+              },
+              value: {
+                type: "number",
+                title: "Starting magnetization",
+                default: 0.0,
+                minimum: -1.0,
+                maximum: 1.0
+              }
+            }
           }
+        },
+        isTotalMagnetization: {
+          type: "boolean",
+          title: "Set total magnetization instead",
+          default: false
+        },
+        totalMagnetization: {
+          type: "number",
+          title: "Total magnetization",
+          default: 0.0
         }
@@ -84,0 +116,0 @@ }

dist/context/providers/HubbardContextProviderLegacy.js

@@ -43,5 +43,2 @@ "use strict";
       },
-      title: {
-        "ui:classNames": "col-xs-12"
-      },
       items: {
@@ -48,0 +45,0 @@ atomicSpecies: this.defaultFieldStyles,

dist/context/providers/HubbardJContextProvider.js

@@ -28,5 +28,2 @@ "use strict";
       },
-      title: {
-        "ui:classNames": "col-xs-12"
-      },
       items: {
@@ -42,3 +39,3 @@ paramType: this.defaultFieldStyles,
     return {
-      $schema: "http://json-schema.org/draft-04/schema#",
+      $schema: "http://json-schema.org/draft-07/schema#",
       title: "",
@@ -45,0 +42,0 @@ description: "Hubbard parameters for DFT+U+J calculation.",

dist/context/providers/HubbardUContextProvider.js

@@ -41,5 +41,2 @@ "use strict";
       },
-      title: {
-        "ui:classNames": "col-xs-12"
-      },
       items: {
@@ -54,3 +51,3 @@ atomicSpecies: this.defaultFieldStyles,
     return {
-      $schema: "http://json-schema.org/draft-04/schema#",
+      $schema: "http://json-schema.org/draft-07/schema#",
       title: "",
@@ -57,0 +54,0 @@ description: "Hubbard U parameters for DFT+U or DFT+U+V calculation.",

dist/context/providers/HubbardVContextProvider.js

@@ -41,5 +41,2 @@ "use strict";
       },
-      title: {
-        "ui:classNames": "col-xs-12"
-      },
       items: {
@@ -59,3 +56,3 @@ atomicSpecies: this.defaultFieldStyles,
     return {
-      $schema: "http://json-schema.org/draft-04/schema#",
+      $schema: "http://json-schema.org/draft-07/schema#",
       title: "",
@@ -62,0 +59,0 @@ description: "Hubbard V parameters for DFT+U+V calculation.",

dist/context/providers/IonDynamicsContextProvider.js

@@ -33,3 +33,3 @@ "use strict";
     return {
-      $schema: "http://json-schema.org/draft-04/schema#",
+      $schema: "http://json-schema.org/draft-07/schema#",
       type: "object",
@@ -36,0 +36,0 @@ description: "Important parameters for molecular dynamics calculation",

package.json

 {
     "name": "@exabyte-io/wode.js",
-    "version": "2024.3.29-0",
+    "version": "2024.4.5-0",
     "description": "WOrkflow DEfinitions",
@@ -49,4 +49,4 @@ "scripts": {
     "devDependencies": {
-        "@exabyte-io/ade.js": "2024.3.29-0",
-        "@exabyte-io/application-flavors.js": "2024.3.29-0",
+        "@exabyte-io/ade.js": "2024.4.5-0",
+        "@exabyte-io/application-flavors.js": "2024.4.5-0",
         "@exabyte-io/eslint-config": "^2022.11.17-0",
@@ -53,0 +53,0 @@ "@exabyte-io/ide.js": "2024.3.26-0",

src/context/providers.js

@@ -108,4 +108,4 @@ import context from "./context";
         providerCls: CollinearMagnetizationContextProvider,
-        config: _makeImportant({ name: "starting_magnetization" }),
+        config: _makeImportant({ name: "collinearMagnetization" }),
     },
 };

src/context/providers/CollinearMagnetizationContextProvider.js

 import { JSONSchemaFormDataProvider, MaterialContextMixin } from "@mat3ra/code/dist/js/context";
 import { Made } from "@mat3ra/made";
+import lodash from "lodash";
 import { mix } from "mixwith";
@@ -10,2 +11,9 @@
 
+    constructor(config) {
+        super(config);
+        this.firstElement =
+            this.uniqueElementsWithLabels?.length > 0 ? this.uniqueElementsWithLabels[0] : "";
+        this.isTotalMagnetization = lodash.get(this.data, "isTotalMagnetization", false);
+    }
+
     get uniqueElementsWithLabels() {
@@ -20,36 +28,47 @@ const elementsWithLabelsArray = this.material?.Basis?.elementsWithLabelsArray || [];
 
-    // eslint-disable-next-line class-methods-use-this
     get defaultData() {
-        return [
-            {
-                index: 1,
-                atomicSpecies:
-                    this.uniqueElementsWithLabels?.length > 0
-                        ? this.uniqueElementsWithLabels[0]
-                        : "",
-                value: 0.0,
-            },
-        ];
+        return {
+            startingMagnetization: [
+                {
+                    index: 1,
+                    atomicSpecies: this.firstElement,
+                    value: 0.0,
+                },
+            ],
+            isTotalMagnetization: false,
+            totalMagnetization: 0.0,
+        };
     }
 
     transformData = (data) => {
-        return data.map((row) => ({
+        const startingMagnetizationWithIndex = data.startingMagnetization.map((row) => ({
             ...row,
             index: this.indexOfElement(row.atomicSpecies),
         }));
+
+        return {
+            ...data,
+            startingMagnetization: startingMagnetizationWithIndex,
+        };
     };
 
+    // eslint-disable-next-line class-methods-use-this
     get uiSchemaStyled() {
         return {
-            "ui:options": {
-                addable: true,
-                orderable: false,
-                removable: true,
-            },
-            items: {
-                atomicSpecies: this.defaultFieldStyles,
-                value: {
-                    "ui:classNames": "col-xs-6 ",
+            startingMagnetization: {
+                items: {
+                    atomicSpecies: {
+                        "ui:classNames": "col-xs-3",
+                    },
+                    value: {
+                        "ui:classNames": "col-xs-6",
+                    },
                 },
+                "ui:readonly": this.isTotalMagnetization,
             },
+            isTotalMagnetization: {},
+            totalMagnetization: {
+                "ui:classNames": "col-xs-6",
+                "ui:readonly": !this.isTotalMagnetization,
+            },
         };
@@ -60,26 +79,39 @@ }
         return {
-            $schema: "http://json-schema.org/draft-04/schema#",
+            $schema: "http://json-schema.org/draft-07/schema#",
             title: "",
             description: "Set starting magnetization, can have values in the range [-1, +1].",
-            type: "array",
-            items: {
-                type: "object",
-                properties: {
-                    atomicSpecies: {
-                        type: "string",
-                        title: "Atomic species",
-                        enum: this.uniqueElementsWithLabels,
-                        default:
-                            this.uniqueElementsWithLabels?.length > 0
-                                ? this.uniqueElementsWithLabels[0]
-                                : "",
+            type: "object",
+            properties: {
+                startingMagnetization: {
+                    type: "array",
+                    maxItems: this.uniqueElementsWithLabels.length,
+                    items: {
+                        type: "object",
+                        properties: {
+                            atomicSpecies: {
+                                type: "string",
+                                title: "Atomic species",
+                                enum: this.uniqueElementsWithLabels,
+                                default: this.firstElement,
+                            },
+                            value: {
+                                type: "number",
+                                title: "Starting magnetization",
+                                default: 0.0,
+                                minimum: -1.0,
+                                maximum: 1.0,
+                            },
+                        },
                     },
-                    value: {
-                        type: "number",
-                        title: "Starting magnetization",
-                        default: 0.0,
-                        minimum: -1.0,
-                        maximum: 1.0,
-                    },
                 },
+                isTotalMagnetization: {
+                    type: "boolean",
+                    title: "Set total magnetization instead",
+                    default: false,
+                },
+                totalMagnetization: {
+                    type: "number",
+                    title: "Total magnetization",
+                    default: 0.0,
+                },
             },
@@ -86,0 +118,0 @@ };

src/context/providers/HubbardContextProviderLegacy.js

@@ -38,5 +38,2 @@ import { HubbardUContextProvider } from "./HubbardUContextProvider";
             },
-            title: {
-                "ui:classNames": "col-xs-12",
-            },
             items: {
@@ -43,0 +40,0 @@ atomicSpecies: this.defaultFieldStyles,

src/context/providers/HubbardJContextProvider.js

@@ -27,5 +27,2 @@ import { HubbardUContextProvider } from "./HubbardUContextProvider";
             },
-            title: {
-                "ui:classNames": "col-xs-12",
-            },
             items: {
@@ -42,3 +39,3 @@ paramType: this.defaultFieldStyles,
         return {
-            $schema: "http://json-schema.org/draft-04/schema#",
+            $schema: "http://json-schema.org/draft-07/schema#",
             title: "",
@@ -45,0 +42,0 @@ description: "Hubbard parameters for DFT+U+J calculation.",

src/context/providers/HubbardUContextProvider.js

@@ -61,5 +61,2 @@ import { JSONSchemaFormDataProvider, MaterialContextMixin } from "@mat3ra/code/dist/js/context";
             },
-            title: {
-                "ui:classNames": "col-xs-12",
-            },
             items: {
@@ -75,3 +72,3 @@ atomicSpecies: this.defaultFieldStyles,
         return {
-            $schema: "http://json-schema.org/draft-04/schema#",
+            $schema: "http://json-schema.org/draft-07/schema#",
             title: "",
@@ -78,0 +75,0 @@ description: "Hubbard U parameters for DFT+U or DFT+U+V calculation.",

src/context/providers/HubbardVContextProvider.js

@@ -43,5 +43,2 @@ import { HubbardUContextProvider } from "./HubbardUContextProvider";
             },
-            title: {
-                "ui:classNames": "col-xs-12",
-            },
             items: {
@@ -61,3 +58,3 @@ atomicSpecies: this.defaultFieldStyles,
         return {
-            $schema: "http://json-schema.org/draft-04/schema#",
+            $schema: "http://json-schema.org/draft-07/schema#",
             title: "",
@@ -64,0 +61,0 @@ description: "Hubbard V parameters for DFT+U+V calculation.",

src/context/providers/IonDynamicsContextProvider.js

@@ -29,3 +29,3 @@ import { JSONSchemaFormDataProvider } from "@mat3ra/code/dist/js/context";
         return {
-            $schema: "http://json-schema.org/draft-04/schema#",
+            $schema: "http://json-schema.org/draft-07/schema#",
             type: "object",
@@ -32,0 +32,0 @@ description: "Important parameters for molecular dynamics calculation",

No alert changes

Improved metrics

Total package byte prevSize

435247

increased by0.4%

Lines of code

8277

increased by0.46%

No dependency changes