@mat3ra/made 2024.3.22-0 → 2024.3.23-1
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/material.d.ts +13 -1027
- package/dist/material.js +3 -2
- package/package.json +1 -2
- package/src/js/material.ts +4 -2
package/dist/material.d.ts
CHANGED
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@@ -213,514 +213,6 @@ export declare function MaterialMixin<T extends MaterialBaseEntityConstructor =
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setName(name: string): void;
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readonly isDefault: boolean;
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};
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readonly jsonSchema: {
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$id: string;
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title: string;
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type: string;
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required: string[];
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properties: {
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formula: {
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description: string;
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type: string;
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};
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unitCellFormula: {
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description: string;
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type: string;
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};
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basis: {
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title: string;
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type: string;
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required: string[];
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properties: {
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elements: {
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items: {
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title: string;
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description: string;
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type: string;
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required: string[];
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properties: {
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id: {
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};
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value: {
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occurrence: {
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description: string;
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type: string;
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};
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oxidationState: {
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type: string;
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};
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};
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labels: {
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items: {
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properties: {
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id: {
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};
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value: {
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};
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};
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};
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};
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coordinates: {
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type: string;
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items: {
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$schema: string;
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title: string;
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description: string;
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type: string;
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properties: {
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id: {
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type: string;
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};
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value: {
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$schema: string;
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title: string;
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oneOf: {
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title: string;
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type: string;
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items: {
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type: string;
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};
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minItems: number;
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}[];
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};
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};
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};
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};
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name: {
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type: string;
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};
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units: {
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type: string;
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};
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bonds: {
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$schema: string;
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title: string;
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type: string;
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uniqueItems: boolean;
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items: {
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properties: {
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atomPair: {
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description: string;
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type: string;
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minItems: number;
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maxItems: number;
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$schema: string;
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title: string;
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items: {
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type: string;
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properties: {
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id: {
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description: string;
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type: string;
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};
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};
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bondType: {
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type: string;
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enum: string[];
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};
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}; /**
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* Returns the inchi string from the derivedProperties for a non-periodic material, or throws an error if the
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* inchi cannot be found.
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* @returns {String}
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*/
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};
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};
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};
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};
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lattice: {
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title: string;
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type: string;
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required: string[];
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properties: {
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name: {
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enum: string[];
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};
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vectors: {
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$schema: string;
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title: string;
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type: string;
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required: string[];
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properties: {
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alat: {
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description: string;
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type: string;
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default: number;
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};
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units: {
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enum: string[];
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};
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a: {
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$schema: string;
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title: string;
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type: string;
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minItems: number;
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maxItems: number;
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items: {
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type: string;
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};
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};
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b: {
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$schema: string;
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title: string;
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type: string;
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minItems: number;
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maxItems: number;
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items: {
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type: string;
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};
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};
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c: {
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$schema: string;
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title: string;
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type: string;
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minItems: number;
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maxItems: number;
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items: {
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type: string;
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};
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};
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};
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};
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type: {
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$schema: string;
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title: string;
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type: string;
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enum: string[];
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};
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units: {
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type: string;
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properties: {
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length: {
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type: string;
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enum: string[];
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};
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angle: {
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type: string;
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enum: string[];
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};
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};
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};
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a: {
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description: string;
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type: string;
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};
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b: {
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description: string;
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type: string;
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};
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c: {
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description: string;
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type: string;
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};
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alpha: {
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description: string;
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type: string;
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};
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beta: {
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description: string;
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type: string;
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};
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gamma: {
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description: string;
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type: string;
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};
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};
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};
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derivedProperties: {
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$schema: string;
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title: string;
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type: string;
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items: {
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oneOf: ({
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title: string;
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type: string;
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required: string[];
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properties: {
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name: {
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enum: string[];
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};
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units: {
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enum: string[];
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};
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value: {
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type: string;
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minimum?: undefined;
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maximum?: undefined;
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};
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pointGroupSymbol?: undefined;
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spaceGroupSymbol?: undefined;
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tolerance?: undefined;
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element?: undefined;
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degree?: undefined;
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};
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description?: undefined;
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} | {
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properties: {
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pointGroupSymbol: {
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description: string;
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type: string;
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};
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spaceGroupSymbol: {
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description: string;
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type: string;
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};
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tolerance: {
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description: string;
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title: string;
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required: string[];
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properties: {
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units: {
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enum: string[];
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};
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value: {
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};
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};
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name: {
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};
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units?: undefined;
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value?: undefined;
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degree?: undefined;
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};
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description?: undefined;
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} | {
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maximum: number;
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};
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element: {
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};
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spaceGroupSymbol?: undefined;
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tolerance?: undefined;
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degree?: undefined;
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};
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properties: {
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name: {
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value: {
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name: {
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})[];
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discriminator: {
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external: {
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|
-
oneOf: {
|
|
604
|
-
type: string;
|
|
605
|
-
}[];
|
|
606
|
-
};
|
|
607
|
-
source: {
|
|
608
|
-
description: string;
|
|
609
|
-
type: string;
|
|
610
|
-
};
|
|
611
|
-
origin: {
|
|
612
|
-
description: string;
|
|
613
|
-
type: string;
|
|
614
|
-
};
|
|
615
|
-
data: {
|
|
616
|
-
description: string;
|
|
617
|
-
type: string;
|
|
618
|
-
};
|
|
619
|
-
doi: {
|
|
620
|
-
description: string;
|
|
621
|
-
type: string;
|
|
622
|
-
};
|
|
623
|
-
url: {
|
|
624
|
-
description: string;
|
|
625
|
-
type: string;
|
|
626
|
-
};
|
|
627
|
-
};
|
|
628
|
-
};
|
|
629
|
-
src: {
|
|
630
|
-
$schema: string;
|
|
631
|
-
title: string;
|
|
632
|
-
description: string;
|
|
633
|
-
type: string;
|
|
634
|
-
required: string[];
|
|
635
|
-
properties: {
|
|
636
|
-
extension: {
|
|
637
|
-
description: string;
|
|
638
|
-
type: string;
|
|
639
|
-
};
|
|
640
|
-
filename: {
|
|
641
|
-
description: string;
|
|
642
|
-
type: string;
|
|
643
|
-
};
|
|
644
|
-
text: {
|
|
645
|
-
description: string;
|
|
646
|
-
type: string;
|
|
647
|
-
};
|
|
648
|
-
hash: {
|
|
649
|
-
description: string;
|
|
650
|
-
type: string;
|
|
651
|
-
};
|
|
652
|
-
};
|
|
653
|
-
};
|
|
654
|
-
scaledHash: {
|
|
655
|
-
description: string;
|
|
656
|
-
type: string;
|
|
657
|
-
};
|
|
658
|
-
icsdId: {
|
|
659
|
-
description: string;
|
|
660
|
-
type: string;
|
|
661
|
-
};
|
|
662
|
-
isNonPeriodic: {
|
|
663
|
-
description: string;
|
|
664
|
-
type: string;
|
|
665
|
-
};
|
|
666
|
-
_id: {
|
|
667
|
-
description: string;
|
|
668
|
-
type: string;
|
|
669
|
-
};
|
|
670
|
-
slug: {
|
|
671
|
-
description: string;
|
|
672
|
-
type: string;
|
|
673
|
-
};
|
|
674
|
-
systemName: {
|
|
675
|
-
type: string;
|
|
676
|
-
};
|
|
677
|
-
consistencyChecks: {
|
|
678
|
-
type: string;
|
|
679
|
-
items: {
|
|
680
|
-
$schema: string;
|
|
681
|
-
title: string;
|
|
682
|
-
type: string;
|
|
683
|
-
description: string;
|
|
684
|
-
required: string[];
|
|
685
|
-
properties: {
|
|
686
|
-
key: {
|
|
687
|
-
type: string;
|
|
688
|
-
description: string;
|
|
689
|
-
};
|
|
690
|
-
name: {
|
|
691
|
-
enum: string[];
|
|
692
|
-
description: string;
|
|
693
|
-
};
|
|
694
|
-
severity: {
|
|
695
|
-
enum: string[];
|
|
696
|
-
description: string;
|
|
697
|
-
};
|
|
698
|
-
message: {
|
|
699
|
-
type: string;
|
|
700
|
-
description: string;
|
|
701
|
-
};
|
|
702
|
-
};
|
|
703
|
-
};
|
|
704
|
-
};
|
|
705
|
-
schemaVersion: {
|
|
706
|
-
description: string;
|
|
707
|
-
type: string;
|
|
708
|
-
default: string;
|
|
709
|
-
};
|
|
710
|
-
name: {
|
|
711
|
-
description: string;
|
|
712
|
-
type: string;
|
|
713
|
-
};
|
|
714
|
-
isDefault: {
|
|
715
|
-
description: string;
|
|
716
|
-
type: string;
|
|
717
|
-
default: boolean;
|
|
718
|
-
};
|
|
719
|
-
metadata: {
|
|
720
|
-
type: string;
|
|
721
|
-
};
|
|
722
|
-
};
|
|
723
|
-
};
|
|
724
216
|
readonly defaultConfig: {
|
|
725
217
|
name: string;
|
|
726
218
|
basis: {
|
|
@@ -924,514 +416,6 @@ export declare const Material: {
|
|
|
924
416
|
setName(name: string): void;
|
|
925
417
|
readonly isDefault: boolean;
|
|
926
418
|
};
|
|
927
|
-
readonly jsonSchema: {
|
|
928
|
-
$id: string;
|
|
929
|
-
$schema: string;
|
|
930
|
-
title: string;
|
|
931
|
-
type: string;
|
|
932
|
-
required: string[];
|
|
933
|
-
properties: {
|
|
934
|
-
formula: {
|
|
935
|
-
description: string;
|
|
936
|
-
type: string;
|
|
937
|
-
};
|
|
938
|
-
unitCellFormula: {
|
|
939
|
-
description: string;
|
|
940
|
-
type: string;
|
|
941
|
-
};
|
|
942
|
-
basis: {
|
|
943
|
-
$schema: string;
|
|
944
|
-
title: string;
|
|
945
|
-
type: string;
|
|
946
|
-
required: string[];
|
|
947
|
-
properties: {
|
|
948
|
-
elements: {
|
|
949
|
-
type: string;
|
|
950
|
-
items: {
|
|
951
|
-
$schema: string;
|
|
952
|
-
title: string;
|
|
953
|
-
description: string;
|
|
954
|
-
type: string;
|
|
955
|
-
required: string[];
|
|
956
|
-
properties: {
|
|
957
|
-
id: {
|
|
958
|
-
type: string;
|
|
959
|
-
};
|
|
960
|
-
value: {
|
|
961
|
-
type: string;
|
|
962
|
-
};
|
|
963
|
-
occurrence: {
|
|
964
|
-
description: string;
|
|
965
|
-
type: string;
|
|
966
|
-
};
|
|
967
|
-
oxidationState: {
|
|
968
|
-
type: string;
|
|
969
|
-
};
|
|
970
|
-
};
|
|
971
|
-
};
|
|
972
|
-
};
|
|
973
|
-
labels: {
|
|
974
|
-
description: string;
|
|
975
|
-
type: string;
|
|
976
|
-
items: {
|
|
977
|
-
properties: {
|
|
978
|
-
id: {
|
|
979
|
-
type: string;
|
|
980
|
-
};
|
|
981
|
-
value: {
|
|
982
|
-
type: string;
|
|
983
|
-
};
|
|
984
|
-
};
|
|
985
|
-
};
|
|
986
|
-
};
|
|
987
|
-
coordinates: {
|
|
988
|
-
type: string;
|
|
989
|
-
items: {
|
|
990
|
-
$schema: string;
|
|
991
|
-
title: string;
|
|
992
|
-
description: string;
|
|
993
|
-
type: string;
|
|
994
|
-
properties: {
|
|
995
|
-
id: {
|
|
996
|
-
type: string;
|
|
997
|
-
};
|
|
998
|
-
value: {
|
|
999
|
-
$schema: string;
|
|
1000
|
-
title: string;
|
|
1001
|
-
oneOf: {
|
|
1002
|
-
$schema: string;
|
|
1003
|
-
title: string;
|
|
1004
|
-
type: string;
|
|
1005
|
-
items: {
|
|
1006
|
-
type: string;
|
|
1007
|
-
};
|
|
1008
|
-
minItems: number;
|
|
1009
|
-
maxItems: number;
|
|
1010
|
-
}[];
|
|
1011
|
-
};
|
|
1012
|
-
};
|
|
1013
|
-
};
|
|
1014
|
-
};
|
|
1015
|
-
name: {
|
|
1016
|
-
type: string;
|
|
1017
|
-
};
|
|
1018
|
-
units: {
|
|
1019
|
-
type: string;
|
|
1020
|
-
};
|
|
1021
|
-
bonds: {
|
|
1022
|
-
$schema: string;
|
|
1023
|
-
title: string;
|
|
1024
|
-
type: string;
|
|
1025
|
-
uniqueItems: boolean;
|
|
1026
|
-
items: {
|
|
1027
|
-
type: string;
|
|
1028
|
-
properties: {
|
|
1029
|
-
atomPair: {
|
|
1030
|
-
description: string;
|
|
1031
|
-
type: string;
|
|
1032
|
-
minItems: number;
|
|
1033
|
-
maxItems: number;
|
|
1034
|
-
$schema: string;
|
|
1035
|
-
title: string;
|
|
1036
|
-
items: {
|
|
1037
|
-
type: string;
|
|
1038
|
-
properties: {
|
|
1039
|
-
id: {
|
|
1040
|
-
description: string;
|
|
1041
|
-
type: string;
|
|
1042
|
-
};
|
|
1043
|
-
};
|
|
1044
|
-
};
|
|
1045
|
-
};
|
|
1046
|
-
bondType: {
|
|
1047
|
-
type: string;
|
|
1048
|
-
enum: string[];
|
|
1049
|
-
};
|
|
1050
|
-
}; /**
|
|
1051
|
-
* Returns the inchi string from the derivedProperties for a non-periodic material, or throws an error if the
|
|
1052
|
-
* inchi cannot be found.
|
|
1053
|
-
* @returns {String}
|
|
1054
|
-
*/
|
|
1055
|
-
};
|
|
1056
|
-
};
|
|
1057
|
-
};
|
|
1058
|
-
};
|
|
1059
|
-
lattice: {
|
|
1060
|
-
$schema: string;
|
|
1061
|
-
title: string;
|
|
1062
|
-
type: string;
|
|
1063
|
-
required: string[];
|
|
1064
|
-
properties: {
|
|
1065
|
-
name: {
|
|
1066
|
-
enum: string[];
|
|
1067
|
-
};
|
|
1068
|
-
vectors: {
|
|
1069
|
-
$schema: string;
|
|
1070
|
-
title: string;
|
|
1071
|
-
type: string;
|
|
1072
|
-
required: string[];
|
|
1073
|
-
properties: {
|
|
1074
|
-
alat: {
|
|
1075
|
-
description: string;
|
|
1076
|
-
type: string;
|
|
1077
|
-
default: number;
|
|
1078
|
-
};
|
|
1079
|
-
units: {
|
|
1080
|
-
enum: string[];
|
|
1081
|
-
};
|
|
1082
|
-
a: {
|
|
1083
|
-
$schema: string;
|
|
1084
|
-
title: string;
|
|
1085
|
-
type: string;
|
|
1086
|
-
minItems: number;
|
|
1087
|
-
maxItems: number;
|
|
1088
|
-
items: {
|
|
1089
|
-
type: string;
|
|
1090
|
-
};
|
|
1091
|
-
};
|
|
1092
|
-
b: {
|
|
1093
|
-
$schema: string;
|
|
1094
|
-
title: string;
|
|
1095
|
-
type: string;
|
|
1096
|
-
minItems: number;
|
|
1097
|
-
maxItems: number;
|
|
1098
|
-
items: {
|
|
1099
|
-
type: string;
|
|
1100
|
-
};
|
|
1101
|
-
};
|
|
1102
|
-
c: {
|
|
1103
|
-
$schema: string;
|
|
1104
|
-
title: string;
|
|
1105
|
-
type: string;
|
|
1106
|
-
minItems: number;
|
|
1107
|
-
maxItems: number;
|
|
1108
|
-
items: {
|
|
1109
|
-
type: string;
|
|
1110
|
-
};
|
|
1111
|
-
};
|
|
1112
|
-
};
|
|
1113
|
-
};
|
|
1114
|
-
type: {
|
|
1115
|
-
$schema: string;
|
|
1116
|
-
title: string;
|
|
1117
|
-
type: string;
|
|
1118
|
-
enum: string[];
|
|
1119
|
-
};
|
|
1120
|
-
units: {
|
|
1121
|
-
type: string;
|
|
1122
|
-
properties: {
|
|
1123
|
-
length: {
|
|
1124
|
-
type: string;
|
|
1125
|
-
enum: string[];
|
|
1126
|
-
};
|
|
1127
|
-
angle: {
|
|
1128
|
-
type: string;
|
|
1129
|
-
enum: string[];
|
|
1130
|
-
};
|
|
1131
|
-
};
|
|
1132
|
-
};
|
|
1133
|
-
a: {
|
|
1134
|
-
description: string;
|
|
1135
|
-
type: string;
|
|
1136
|
-
};
|
|
1137
|
-
b: {
|
|
1138
|
-
description: string;
|
|
1139
|
-
type: string;
|
|
1140
|
-
};
|
|
1141
|
-
c: {
|
|
1142
|
-
description: string;
|
|
1143
|
-
type: string;
|
|
1144
|
-
};
|
|
1145
|
-
alpha: {
|
|
1146
|
-
description: string;
|
|
1147
|
-
type: string;
|
|
1148
|
-
};
|
|
1149
|
-
beta: {
|
|
1150
|
-
description: string;
|
|
1151
|
-
type: string;
|
|
1152
|
-
};
|
|
1153
|
-
gamma: {
|
|
1154
|
-
description: string;
|
|
1155
|
-
type: string;
|
|
1156
|
-
};
|
|
1157
|
-
};
|
|
1158
|
-
};
|
|
1159
|
-
derivedProperties: {
|
|
1160
|
-
$schema: string;
|
|
1161
|
-
title: string;
|
|
1162
|
-
type: string;
|
|
1163
|
-
items: {
|
|
1164
|
-
oneOf: ({
|
|
1165
|
-
$schema: string;
|
|
1166
|
-
title: string;
|
|
1167
|
-
type: string;
|
|
1168
|
-
required: string[];
|
|
1169
|
-
properties: {
|
|
1170
|
-
name: {
|
|
1171
|
-
enum: string[];
|
|
1172
|
-
};
|
|
1173
|
-
units: {
|
|
1174
|
-
enum: string[];
|
|
1175
|
-
};
|
|
1176
|
-
value: {
|
|
1177
|
-
type: string;
|
|
1178
|
-
minimum?: undefined;
|
|
1179
|
-
maximum?: undefined;
|
|
1180
|
-
};
|
|
1181
|
-
pointGroupSymbol?: undefined;
|
|
1182
|
-
spaceGroupSymbol?: undefined;
|
|
1183
|
-
tolerance?: undefined;
|
|
1184
|
-
element?: undefined;
|
|
1185
|
-
degree?: undefined;
|
|
1186
|
-
};
|
|
1187
|
-
description?: undefined;
|
|
1188
|
-
} | {
|
|
1189
|
-
$schema: string;
|
|
1190
|
-
title: string;
|
|
1191
|
-
type: string;
|
|
1192
|
-
properties: {
|
|
1193
|
-
pointGroupSymbol: {
|
|
1194
|
-
description: string;
|
|
1195
|
-
type: string;
|
|
1196
|
-
};
|
|
1197
|
-
spaceGroupSymbol: {
|
|
1198
|
-
description: string;
|
|
1199
|
-
type: string;
|
|
1200
|
-
};
|
|
1201
|
-
tolerance: {
|
|
1202
|
-
type: string;
|
|
1203
|
-
description: string;
|
|
1204
|
-
$schema: string;
|
|
1205
|
-
title: string;
|
|
1206
|
-
required: string[];
|
|
1207
|
-
properties: {
|
|
1208
|
-
units: {
|
|
1209
|
-
enum: string[];
|
|
1210
|
-
};
|
|
1211
|
-
value: {
|
|
1212
|
-
type: string;
|
|
1213
|
-
};
|
|
1214
|
-
};
|
|
1215
|
-
};
|
|
1216
|
-
name: {
|
|
1217
|
-
enum: string[];
|
|
1218
|
-
};
|
|
1219
|
-
units?: undefined;
|
|
1220
|
-
value?: undefined;
|
|
1221
|
-
element?: undefined;
|
|
1222
|
-
degree?: undefined;
|
|
1223
|
-
};
|
|
1224
|
-
required?: undefined;
|
|
1225
|
-
description?: undefined;
|
|
1226
|
-
} | {
|
|
1227
|
-
$schema: string;
|
|
1228
|
-
title: string;
|
|
1229
|
-
description: string;
|
|
1230
|
-
type: string;
|
|
1231
|
-
required: string[];
|
|
1232
|
-
properties: {
|
|
1233
|
-
name: {
|
|
1234
|
-
enum: string[];
|
|
1235
|
-
};
|
|
1236
|
-
value: {
|
|
1237
|
-
type: string;
|
|
1238
|
-
minimum: number;
|
|
1239
|
-
maximum: number;
|
|
1240
|
-
};
|
|
1241
|
-
element: {
|
|
1242
|
-
type: string;
|
|
1243
|
-
description: string;
|
|
1244
|
-
};
|
|
1245
|
-
units?: undefined;
|
|
1246
|
-
pointGroupSymbol?: undefined;
|
|
1247
|
-
spaceGroupSymbol?: undefined;
|
|
1248
|
-
tolerance?: undefined;
|
|
1249
|
-
degree?: undefined;
|
|
1250
|
-
};
|
|
1251
|
-
} | {
|
|
1252
|
-
$schema: string;
|
|
1253
|
-
title: string;
|
|
1254
|
-
description: string;
|
|
1255
|
-
type: string;
|
|
1256
|
-
required: string[];
|
|
1257
|
-
properties: {
|
|
1258
|
-
name: {
|
|
1259
|
-
enum: string[];
|
|
1260
|
-
};
|
|
1261
|
-
degree: {
|
|
1262
|
-
type: string;
|
|
1263
|
-
description: string;
|
|
1264
|
-
};
|
|
1265
|
-
value: {
|
|
1266
|
-
type: string;
|
|
1267
|
-
minimum?: undefined;
|
|
1268
|
-
maximum?: undefined;
|
|
1269
|
-
};
|
|
1270
|
-
units?: undefined;
|
|
1271
|
-
pointGroupSymbol?: undefined;
|
|
1272
|
-
spaceGroupSymbol?: undefined;
|
|
1273
|
-
tolerance?: undefined;
|
|
1274
|
-
element?: undefined;
|
|
1275
|
-
};
|
|
1276
|
-
} | {
|
|
1277
|
-
$schema: string;
|
|
1278
|
-
title: string;
|
|
1279
|
-
type: string;
|
|
1280
|
-
required: string[];
|
|
1281
|
-
properties: {
|
|
1282
|
-
name: {
|
|
1283
|
-
enum: string[];
|
|
1284
|
-
};
|
|
1285
|
-
value: {
|
|
1286
|
-
type: string;
|
|
1287
|
-
minimum?: undefined;
|
|
1288
|
-
maximum?: undefined;
|
|
1289
|
-
};
|
|
1290
|
-
units?: undefined;
|
|
1291
|
-
pointGroupSymbol?: undefined;
|
|
1292
|
-
spaceGroupSymbol?: undefined;
|
|
1293
|
-
tolerance?: undefined;
|
|
1294
|
-
element?: undefined;
|
|
1295
|
-
degree?: undefined;
|
|
1296
|
-
};
|
|
1297
|
-
description?: undefined;
|
|
1298
|
-
})[];
|
|
1299
|
-
discriminator: {
|
|
1300
|
-
propertyName: string;
|
|
1301
|
-
};
|
|
1302
|
-
required: string[];
|
|
1303
|
-
};
|
|
1304
|
-
};
|
|
1305
|
-
external: {
|
|
1306
|
-
$schema: string;
|
|
1307
|
-
title: string;
|
|
1308
|
-
description: string;
|
|
1309
|
-
type: string;
|
|
1310
|
-
required: string[];
|
|
1311
|
-
properties: {
|
|
1312
|
-
id: {
|
|
1313
|
-
description: string;
|
|
1314
|
-
oneOf: {
|
|
1315
|
-
type: string;
|
|
1316
|
-
}[];
|
|
1317
|
-
};
|
|
1318
|
-
source: {
|
|
1319
|
-
description: string;
|
|
1320
|
-
type: string;
|
|
1321
|
-
};
|
|
1322
|
-
origin: {
|
|
1323
|
-
description: string;
|
|
1324
|
-
type: string;
|
|
1325
|
-
};
|
|
1326
|
-
data: {
|
|
1327
|
-
description: string;
|
|
1328
|
-
type: string;
|
|
1329
|
-
};
|
|
1330
|
-
doi: {
|
|
1331
|
-
description: string;
|
|
1332
|
-
type: string;
|
|
1333
|
-
};
|
|
1334
|
-
url: {
|
|
1335
|
-
description: string;
|
|
1336
|
-
type: string;
|
|
1337
|
-
};
|
|
1338
|
-
};
|
|
1339
|
-
};
|
|
1340
|
-
src: {
|
|
1341
|
-
$schema: string;
|
|
1342
|
-
title: string;
|
|
1343
|
-
description: string;
|
|
1344
|
-
type: string;
|
|
1345
|
-
required: string[];
|
|
1346
|
-
properties: {
|
|
1347
|
-
extension: {
|
|
1348
|
-
description: string;
|
|
1349
|
-
type: string;
|
|
1350
|
-
};
|
|
1351
|
-
filename: {
|
|
1352
|
-
description: string;
|
|
1353
|
-
type: string;
|
|
1354
|
-
};
|
|
1355
|
-
text: {
|
|
1356
|
-
description: string;
|
|
1357
|
-
type: string;
|
|
1358
|
-
};
|
|
1359
|
-
hash: {
|
|
1360
|
-
description: string;
|
|
1361
|
-
type: string;
|
|
1362
|
-
};
|
|
1363
|
-
};
|
|
1364
|
-
};
|
|
1365
|
-
scaledHash: {
|
|
1366
|
-
description: string;
|
|
1367
|
-
type: string;
|
|
1368
|
-
};
|
|
1369
|
-
icsdId: {
|
|
1370
|
-
description: string;
|
|
1371
|
-
type: string;
|
|
1372
|
-
};
|
|
1373
|
-
isNonPeriodic: {
|
|
1374
|
-
description: string;
|
|
1375
|
-
type: string;
|
|
1376
|
-
};
|
|
1377
|
-
_id: {
|
|
1378
|
-
description: string;
|
|
1379
|
-
type: string;
|
|
1380
|
-
};
|
|
1381
|
-
slug: {
|
|
1382
|
-
description: string;
|
|
1383
|
-
type: string;
|
|
1384
|
-
};
|
|
1385
|
-
systemName: {
|
|
1386
|
-
type: string;
|
|
1387
|
-
};
|
|
1388
|
-
consistencyChecks: {
|
|
1389
|
-
type: string;
|
|
1390
|
-
items: {
|
|
1391
|
-
$schema: string;
|
|
1392
|
-
title: string;
|
|
1393
|
-
type: string;
|
|
1394
|
-
description: string;
|
|
1395
|
-
required: string[];
|
|
1396
|
-
properties: {
|
|
1397
|
-
key: {
|
|
1398
|
-
type: string;
|
|
1399
|
-
description: string;
|
|
1400
|
-
};
|
|
1401
|
-
name: {
|
|
1402
|
-
enum: string[];
|
|
1403
|
-
description: string;
|
|
1404
|
-
};
|
|
1405
|
-
severity: {
|
|
1406
|
-
enum: string[];
|
|
1407
|
-
description: string;
|
|
1408
|
-
};
|
|
1409
|
-
message: {
|
|
1410
|
-
type: string;
|
|
1411
|
-
description: string;
|
|
1412
|
-
};
|
|
1413
|
-
};
|
|
1414
|
-
};
|
|
1415
|
-
};
|
|
1416
|
-
schemaVersion: {
|
|
1417
|
-
description: string;
|
|
1418
|
-
type: string;
|
|
1419
|
-
default: string;
|
|
1420
|
-
};
|
|
1421
|
-
name: {
|
|
1422
|
-
description: string;
|
|
1423
|
-
type: string;
|
|
1424
|
-
};
|
|
1425
|
-
isDefault: {
|
|
1426
|
-
description: string;
|
|
1427
|
-
type: string;
|
|
1428
|
-
default: boolean;
|
|
1429
|
-
};
|
|
1430
|
-
metadata: {
|
|
1431
|
-
type: string;
|
|
1432
|
-
};
|
|
1433
|
-
};
|
|
1434
|
-
};
|
|
1435
419
|
readonly defaultConfig: {
|
|
1436
420
|
name: string;
|
|
1437
421
|
basis: {
|
|
@@ -1463,15 +447,16 @@ export declare const Material: {
|
|
|
1463
447
|
consistencyChecks: object[];
|
|
1464
448
|
addConsistencyChecks(array: object[]): void;
|
|
1465
449
|
_json: AnyObject;
|
|
1466
|
-
prop<T = undefined>(name: string, defaultValue: T): T;
|
|
1467
|
-
|
|
450
|
+
prop<T = undefined>(name: string, defaultValue: T): T; /**
|
|
451
|
+
* Converts basis to crystal/fractional coordinates.
|
|
452
|
+
*/
|
|
453
|
+
prop<T_1 = undefined>(name: string): T_1 | undefined; /**
|
|
454
|
+
* Converts basis to crystal/fractional coordinates.
|
|
455
|
+
*/
|
|
1468
456
|
setProp(name: string, value: unknown): void;
|
|
1469
457
|
unsetProp(name: string): void;
|
|
1470
458
|
toJSON(exclude?: string[] | undefined): AnyObject;
|
|
1471
459
|
toJSONSafe(exclude?: string[] | undefined): AnyObject;
|
|
1472
|
-
/**
|
|
1473
|
-
* Returns material's basis in XYZ format.
|
|
1474
|
-
*/
|
|
1475
460
|
toJSONQuick(exclude?: string[] | undefined): AnyObject;
|
|
1476
461
|
clone(extraContext?: object | undefined): any;
|
|
1477
462
|
validate(): void;
|
|
@@ -1492,7 +477,9 @@ export declare const Material: {
|
|
|
1492
477
|
prop<T_1_1 = undefined>(name: string): T_1_1 | undefined;
|
|
1493
478
|
setProp(name: string, value: unknown): void;
|
|
1494
479
|
unsetProp(name: string): void;
|
|
1495
|
-
toJSON(exclude?: string[] | undefined): AnyObject;
|
|
480
|
+
toJSON(exclude?: string[] | undefined): AnyObject; /**
|
|
481
|
+
* Returns material in POSCAR format. Pass `true` to ignore original poscar source and re-serialize.
|
|
482
|
+
*/
|
|
1496
483
|
toJSONSafe(exclude?: string[] | undefined): AnyObject;
|
|
1497
484
|
toJSONQuick(exclude?: string[] | undefined): AnyObject;
|
|
1498
485
|
clone(extraContext?: object | undefined): any;
|
|
@@ -1520,16 +507,15 @@ export declare const Material: {
|
|
|
1520
507
|
clone(extraContext?: object | undefined): any;
|
|
1521
508
|
validate(): void;
|
|
1522
509
|
clean(config: AnyObject): AnyObject;
|
|
1523
|
-
isValid(): boolean;
|
|
510
|
+
isValid(): boolean; /**
|
|
511
|
+
* @summary a series of checks for the material and returns an array of results in ConsistencyChecks format.
|
|
512
|
+
* @returns Array of checks results
|
|
513
|
+
*/
|
|
1524
514
|
id: string;
|
|
1525
515
|
readonly cls: string;
|
|
1526
516
|
getClsName(): string;
|
|
1527
517
|
readonly slug: string;
|
|
1528
518
|
readonly isSystemEntity: boolean;
|
|
1529
|
-
/**
|
|
1530
|
-
* @summary a series of checks for the material's basis and returns an array of results in ConsistencyChecks format.
|
|
1531
|
-
* @returns Array of checks results
|
|
1532
|
-
*/
|
|
1533
519
|
getAsEntityReference(byIdOnly?: boolean | undefined): import("@mat3ra/esse/lib/js/types").EntityReferenceSchema;
|
|
1534
520
|
getEntityByName(entities: import("@exabyte-io/code.js/dist/entity").InMemoryEntity[], entity: string, name: string): import("@exabyte-io/code.js/dist/entity").InMemoryEntity;
|
|
1535
521
|
}) & {
|
package/dist/material.js
CHANGED
|
@@ -5,7 +5,6 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
|
|
|
5
5
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
6
6
|
exports.Material = exports.MaterialMixin = exports.defaultMaterialConfig = void 0;
|
|
7
7
|
const entity_1 = require("@exabyte-io/code.js/dist/entity");
|
|
8
|
-
const material_json_1 = __importDefault(require("@mat3ra/esse/lib/js/schema/material.json"));
|
|
9
8
|
const crypto_js_1 = __importDefault(require("crypto-js"));
|
|
10
9
|
const constrained_basis_1 = require("./basis/constrained_basis");
|
|
11
10
|
const conventional_cell_1 = require("./cell/conventional_cell");
|
|
@@ -57,6 +56,9 @@ exports.defaultMaterialConfig = {
|
|
|
57
56
|
};
|
|
58
57
|
function MaterialMixin(superclass) {
|
|
59
58
|
class MadeMaterial extends superclass {
|
|
59
|
+
// TODO: add constraints (and other properties if needed) to ESSE MaterialSchema, then uncomment the line below to allow validation
|
|
60
|
+
// During validation of the Material entity, properties absent in ESSE schema get deleted.
|
|
61
|
+
// static readonly jsonSchema = MaterialJSONSchemaObject;
|
|
60
62
|
// eslint-disable-next-line @typescript-eslint/no-explicit-any
|
|
61
63
|
constructor(...config) {
|
|
62
64
|
super(...config);
|
|
@@ -310,7 +312,6 @@ function MaterialMixin(superclass) {
|
|
|
310
312
|
return checks;
|
|
311
313
|
}
|
|
312
314
|
}
|
|
313
|
-
MadeMaterial.jsonSchema = material_json_1.default;
|
|
314
315
|
return MadeMaterial;
|
|
315
316
|
}
|
|
316
317
|
exports.MaterialMixin = MaterialMixin;
|
package/package.json
CHANGED
|
@@ -1,12 +1,11 @@
|
|
|
1
1
|
{
|
|
2
2
|
"name": "@mat3ra/made",
|
|
3
|
-
"version": "2024.3.
|
|
3
|
+
"version": "2024.3.23-1",
|
|
4
4
|
"description": "MAterials DEsign library",
|
|
5
5
|
"scripts": {
|
|
6
6
|
"lint": "eslint --cache src/js tests/js && prettier --write src/js tests/js",
|
|
7
7
|
"lint:fix": "eslint --fix --cache src/js tests/js && prettier --write src/js tests/js",
|
|
8
8
|
"lint:staged": "lint-staged",
|
|
9
|
-
"postinstall": "npm run transpile",
|
|
10
9
|
"prepare": "husky install",
|
|
11
10
|
"prettier": "prettier --check src/js tests/js",
|
|
12
11
|
"test": "nyc --reporter=text mocha --recursive --bail tests/js",
|
package/src/js/material.ts
CHANGED
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
import { HasConsistencyChecksHasMetadataNamedDefaultableInMemoryEntity } from "@exabyte-io/code.js/dist/entity";
|
|
2
2
|
import { AnyObject } from "@exabyte-io/code.js/dist/entity/in_memory";
|
|
3
|
-
import MaterialJSONSchemaObject from "@mat3ra/esse/lib/js/schema/material.json";
|
|
3
|
+
// import MaterialJSONSchemaObject from "@mat3ra/esse/lib/js/schema/material.json";
|
|
4
4
|
import {
|
|
5
5
|
ConsistencyCheck,
|
|
6
6
|
DerivedPropertiesSchema,
|
|
@@ -85,7 +85,9 @@ export function MaterialMixin<
|
|
|
85
85
|
class MadeMaterial extends superclass {
|
|
86
86
|
declare _json: MaterialSchemaJSON;
|
|
87
87
|
|
|
88
|
-
|
|
88
|
+
// TODO: add constraints (and other properties if needed) to ESSE MaterialSchema, then uncomment the line below to allow validation
|
|
89
|
+
// During validation of the Material entity, properties absent in ESSE schema get deleted.
|
|
90
|
+
// static readonly jsonSchema = MaterialJSONSchemaObject;
|
|
89
91
|
|
|
90
92
|
// eslint-disable-next-line @typescript-eslint/no-explicit-any
|
|
91
93
|
constructor(...config: any[]) {
|