Merge pull request #74 from Exabyte-io/feat/SOF-7297

SOF-7297: handle optional atomic labels in Hubbard context providers
Exabyte-io · Mar 29, 2024 · ec60a93 · ec60a93
2 parents cb7e799 + c29dbe5
commit ec60a93
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Showing 7 changed files with 44 additions and 31 deletions.
diff --git a/package-lock.json b/package-lock.json
diff --git a/package.json b/package.json
@@ -46,8 +46,8 @@
         "underscore.string": "^3.3.4"
     },
     "devDependencies": {
-        "@exabyte-io/ade.js": "2024.3.26-0",
-        "@exabyte-io/application-flavors.js": "2024.3.26-0",
+        "@exabyte-io/ade.js": "2024.3.29-0",
+        "@exabyte-io/application-flavors.js": "2024.3.29-0",
         "@exabyte-io/eslint-config": "^2022.11.17-0",
         "@exabyte-io/ide.js": "2024.3.26-0",
         "@exabyte-io/mode.js": "2024.3.26-0",

diff --git a/src/context/providers/CollinearMagnetizationContextProvider.js b/src/context/providers/CollinearMagnetizationContextProvider.js
@@ -46,7 +46,9 @@ export class CollinearMagnetizationContextProvider extends mix(JSONSchemaFormDat
             },
             items: {
                 atomicSpecies: this.defaultFieldStyles,
-                value: this.defaultFieldStyles,
+                value: {
+                    "ui:classNames": "col-xs-6 ",
+                },
             },
         };
     }

diff --git a/src/context/providers/HubbardContextProviderLegacy.js b/src/context/providers/HubbardContextProviderLegacy.js
@@ -9,14 +9,16 @@ export class HubbardContextProviderLegacy extends HubbardUContextProvider {
         return [
             {
                 ...defaultHubbardConfig,
-                atomicSpecies: this.uniqueElements?.length > 0 ? this.uniqueElements[0] : "",
-                atomicSpeciesIndex: this.uniqueElements?.length > 0 ? 1 : null,
+                atomicSpecies: this.firstElement,
+                atomicSpeciesIndex: this.uniqueElementsWithLabels?.length > 0 ? 1 : null,
             },
         ];
     }
 
     speciesIndexFromSpecies = (species) => {
-        return this.uniqueElements?.length > 0 ? this.uniqueElements.indexOf(species) + 1 : null;
+        return this.uniqueElementsWithLabels?.length > 0
+            ? this.uniqueElementsWithLabels.indexOf(species) + 1
+            : null;
     };
 
     transformData = (data) => {
@@ -58,7 +60,7 @@ export class HubbardContextProviderLegacy extends HubbardUContextProvider {
                     atomicSpecies: {
                         type: "string",
                         title: "Atomic species",
-                        enum: this.uniqueElements,
+                        enum: this.uniqueElementsWithLabels,
                     },
                     atomicSpeciesIndex: {
                         type: "integer",

diff --git a/src/context/providers/HubbardJContextProvider.js b/src/context/providers/HubbardJContextProvider.js
@@ -12,7 +12,7 @@ export class HubbardJContextProvider extends HubbardUContextProvider {
         return [
             {
                 ...defaultHubbardConfig,
-                atomicSpecies: this.uniqueElements?.length > 0 ? this.uniqueElements[0] : "",
+                atomicSpecies: this.firstElement,
             },
         ];
     }
@@ -54,8 +54,8 @@ export class HubbardJContextProvider extends HubbardUContextProvider {
                     atomicSpecies: {
                         type: "string",
                         title: "Species",
-                        enum: this.uniqueElements,
-                        default: this.uniqueElements?.length > 0 ? this.uniqueElements[0] : "",
+                        enum: this.uniqueElementsWithLabels,
+                        default: this.firstElement,
                     },
                     atomicOrbital: {
                         type: "string",

diff --git a/src/context/providers/HubbardUContextProvider.js b/src/context/providers/HubbardUContextProvider.js
@@ -36,13 +36,17 @@ export class HubbardUContextProvider extends mix(JSONSchemaFormDataProvider).wit
             "7p",
             "7d",
         ];
+        const _elementsWithLabels = this.material?.Basis?.elementsWithLabelsArray || [];
+        this.uniqueElementsWithLabels = [...new Set(_elementsWithLabels)];
+        this.firstElement =
+            this.uniqueElementsWithLabels?.length > 0 ? this.uniqueElementsWithLabels[0] : "";
     }
 
     get defaultData() {
         return [
             {
                 ...defaultHubbardConfig,
-                atomicSpecies: this.uniqueElements?.length > 0 ? this.uniqueElements[0] : "",
+                atomicSpecies: this.firstElement,
             },
         ];
     }
@@ -77,8 +81,8 @@ export class HubbardUContextProvider extends mix(JSONSchemaFormDataProvider).wit
                     atomicSpecies: {
                         type: "string",
                         title: "Atomic species",
-                        enum: this.uniqueElements,
-                        default: this.uniqueElements?.length > 0 ? this.uniqueElements[0] : "",
+                        enum: this.uniqueElementsWithLabels,
+                        default: this.firstElement,
                     },
                     atomicOrbital: {
                         type: "string",

diff --git a/src/context/providers/HubbardVContextProvider.js b/src/context/providers/HubbardVContextProvider.js
@@ -17,17 +17,20 @@ export class HubbardVContextProvider extends HubbardUContextProvider {
                 ...defaultHubbardConfig,
                 atomicSpecies: this.firstSpecies,
                 atomicSpecies2: this.secondSpecies,
-                siteIndex2: this.uniqueElements?.length > 1 ? 2 : defaultHubbardConfig.siteIndex2,
+                siteIndex2:
+                    this.uniqueElementsWithLabels?.length > 1 ? 2 : defaultHubbardConfig.siteIndex2,
             },
         ];
     }
 
     get firstSpecies() {
-        return this.uniqueElements?.length > 0 ? this.uniqueElements[0] : "";
+        return this.firstElement;
     }
 
     get secondSpecies() {
-        return this.uniqueElements?.length > 1 ? this.uniqueElements[1] : this.firstSpecies;
+        return this.uniqueElementsWithLabels?.length > 1
+            ? this.uniqueElementsWithLabels[1]
+            : this.firstSpecies;
     }
 
     get uiSchemaStyled() {
@@ -64,7 +67,7 @@ export class HubbardVContextProvider extends HubbardUContextProvider {
                     atomicSpecies: {
                         type: "string",
                         title: "Species 1",
-                        enum: this.uniqueElements,
+                        enum: this.uniqueElementsWithLabels,
                         default: this.firstSpecies,
                     },
                     siteIndex: {
@@ -81,14 +84,16 @@ export class HubbardVContextProvider extends HubbardUContextProvider {
                     atomicSpecies2: {
                         type: "string",
                         title: "Species 2",
-                        enum: this.uniqueElements,
+                        enum: this.uniqueElementsWithLabels,
                         default: this.secondSpecies,
                     },
                     siteIndex2: {
                         type: "integer",
                         title: "Site no 2",
                         default:
-                            this.uniqueElements?.length > 1 ? 2 : defaultHubbardConfig.siteIndex2,
+                            this.uniqueElementsWithLabels?.length > 1
+                                ? 2
+                                : defaultHubbardConfig.siteIndex2,
                     },
                     atomicOrbital2: {
                         type: "string",