diff --git a/dist/mixins/bonds.js b/dist/mixins/bonds.js index 8683525..604bb15 100644 --- a/dist/mixins/bonds.js +++ b/dist/mixins/bonds.js @@ -1,6 +1,5 @@ -import { math } from "@mat3ra/code/dist/js/math"; -import { Made } from "@mat3ra/made"; import { filterBondsDataByElementsAndOrder, getElementsBondsData } from "@mat3ra/periodic-table"; +import { sharedUtils } from "@mat3ra/utils"; import createKDTree from "static-kdtree"; import * as THREE from "three"; /* @@ -38,7 +37,7 @@ export const BondsMixin = (superclass) => class extends superclass { */ // TODO: move to made basis bonded areElementsBonded(element1, coordinate1, element2, coordinate2, bondsData) { - const distance = Made.math.vDist(coordinate1, coordinate2); + const distance = sharedUtils.math.vDist(coordinate1, coordinate2); const connectivityFactor = this.settings.chemicalConnectivityFactor; return Boolean(filterBondsDataByElementsAndOrder(bondsData, element1, element2).find((b) => { return (b.length.value && @@ -73,7 +72,7 @@ export const BondsMixin = (superclass) => class extends superclass { getMaxBondLength(bondsData) { const connectivityFactor = this.settings.chemicalConnectivityFactor; return (connectivityFactor * - math.max(bondsData.map((b) => b.length.value || 0))); + sharedUtils.math.max(bondsData.map((b) => b.length.value || 0))); } /** * Returns an array of [element, coordinate] for all elements and their neighbors. diff --git a/dist/mixins/boundary.js b/dist/mixins/boundary.js index b1e54f9..6b3cfb1 100644 --- a/dist/mixins/boundary.js +++ b/dist/mixins/boundary.js @@ -1,4 +1,3 @@ -import { Made } from "@mat3ra/made"; import * as THREE from "three"; import { BOUNDARY_CONDITIONS } from "../enums"; export const BoundaryMixin = (superclass) => class extends superclass { @@ -88,7 +87,7 @@ export const BoundaryMixin = (superclass) => class extends superclass { coordinate: [ coord[0], coord[1], - Made.math.abs(coord[2]) <= 0.5 ? coord[2] : coord[2] - 1, + Math.abs(coord[2]) <= 0.5 ? coord[2] : coord[2] - 1, ], }); }); diff --git a/package-lock.json b/package-lock.json index 0537abd..5cc5f9d 100644 --- a/package-lock.json +++ b/package-lock.json @@ -37,6 +37,7 @@ "@mat3ra/esse": "2025.4.22-0", "@mat3ra/made": "2025.6.25-1", "@mat3ra/tsconfig": "^2024.6.3-0", + "@mat3ra/utils": "2026.5.28-4", "@types/react": "^18.2.8", "@types/react-dom": "^18.2.4", "@types/static-kdtree": "^1.0.3", @@ -78,7 +79,7 @@ "react-test-renderer": "^17.0.0", "vite": "^6.0.7", "vite-plugin-commonjs": "^0.10.4", - "vite-plugin-node-polyfills": "^0.22.0", + "vite-plugin-node-polyfills": "^0.26.0", "vite-plugin-svgr": "^4.3.0", "vite-tsconfig-paths": "^5.1.4" }, @@ -90,6 +91,7 @@ "@mat3ra/code": "*", "@mat3ra/esse": "*", "@mat3ra/made": "*", + "@mat3ra/utils": "*", "react": "^17.0.0", "react-dom": "^17.0.0" } @@ -544,7 +546,6 @@ "version": "7.24.7", "resolved": "https://registry.npmjs.org/@babel/highlight/-/highlight-7.24.7.tgz", "integrity": 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"dev": true, "license": "BSD-2-Clause", "dependencies": { "punycode": "^2.1.0" @@ -20923,8 +21244,7 @@ "node_modules/v8-compile-cache": { "version": "2.4.0", "resolved": "https://registry.npmjs.org/v8-compile-cache/-/v8-compile-cache-2.4.0.tgz", - "integrity": "sha512-ocyWc3bAHBB/guyqJQVI5o4BZkPhznPYUG2ea80Gond/BgNWpap8TOmLSeeQG7bnh2KMISxskdADG59j7zruhw==", - "dev": true + "integrity": "sha512-ocyWc3bAHBB/guyqJQVI5o4BZkPhznPYUG2ea80Gond/BgNWpap8TOmLSeeQG7bnh2KMISxskdADG59j7zruhw==" }, "node_modules/v8-compile-cache-lib": { "version": "3.0.1", @@ -21099,20 +21419,20 @@ } }, "node_modules/vite-plugin-node-polyfills": { - "version": "0.22.0", - "resolved": "https://registry.npmjs.org/vite-plugin-node-polyfills/-/vite-plugin-node-polyfills-0.22.0.tgz", - "integrity": "sha512-F+G3LjiGbG8QpbH9bZ//GSBr9i1InSTkaulfUHFa9jkLqVGORFBoqc2A/Yu5Mmh1kNAbiAeKeK+6aaQUf3x0JA==", + "version": "0.26.0", + "resolved": "https://registry.npmjs.org/vite-plugin-node-polyfills/-/vite-plugin-node-polyfills-0.26.0.tgz", + "integrity": "sha512-BAe5YzJf368XGev02hDvioidx4uVH8dqEJlG73bjQSxM26/AQnGcKFomq9n3vGq5yqpSHKN4h1XQNxx9l98mBg==", "dev": true, "license": "MIT", "dependencies": { "@rollup/plugin-inject": "^5.0.5", - "node-stdlib-browser": "^1.2.0" + "node-stdlib-browser": "^1.3.1" }, "funding": { "url": "https://github.com/sponsors/davidmyersdev" }, "peerDependencies": { - "vite": "^2.0.0 || ^3.0.0 || ^4.0.0 || ^5.0.0" + "vite": "^2.0.0 || ^3.0.0 || ^4.0.0 || ^5.0.0 || ^6.0.0 || ^7.0.0 || ^8.0.0" } }, "node_modules/vite-plugin-svgr": { @@ -21246,7 +21566,6 @@ "version": "2.0.2", "resolved": "https://registry.npmjs.org/which/-/which-2.0.2.tgz", "integrity": "sha512-BLI3Tl1TW3Pvl70l3yq3Y64i+awpwXqsGBYWkkqMtnbXgrMD+yj7rhW0kuEDxzJaYXGjEW5ogapKNMEKNMjibA==", - "dev": true, "license": "ISC", "dependencies": { "isexe": "^2.0.0" @@ -21350,7 +21669,6 @@ "version": "1.2.5", "resolved": "https://registry.npmjs.org/word-wrap/-/word-wrap-1.2.5.tgz", "integrity": "sha512-BN22B5eaMMI9UMtjrGd5g5eCYPpCPDUy0FJXbYsaT5zYxjFOckS53SQDE3pWkVoWpHXVb3BrYcEN4Twa55B5cA==", - "dev": true, "engines": { "node": ">=0.10.0" } diff --git a/package.json b/package.json index 32a84d9..f9a52c3 100644 --- a/package.json +++ b/package.json @@ -56,6 +56,7 @@ "@mat3ra/code": "*", "@mat3ra/esse": "*", "@mat3ra/made": "*", + "@mat3ra/utils": "*", "react": "^17.0.0", "react-dom": "^17.0.0" }, @@ -66,6 +67,7 @@ "@mat3ra/esse": "2025.4.22-0", "@mat3ra/made": "2025.6.25-1", "@mat3ra/tsconfig": "^2024.6.3-0", + "@mat3ra/utils": "2026.5.28-4", "@types/react": "^18.2.8", "@types/react-dom": "^18.2.4", "@types/static-kdtree": "^1.0.3", @@ -107,7 +109,7 @@ "react-test-renderer": "^17.0.0", "vite": "^6.0.7", "vite-plugin-commonjs": "^0.10.4", - "vite-plugin-node-polyfills": "^0.22.0", + "vite-plugin-node-polyfills": "^0.26.0", "vite-plugin-svgr": "^4.3.0", "vite-tsconfig-paths": "^5.1.4" }, diff --git a/src/mixins/bonds.ts b/src/mixins/bonds.ts index b53ed90..b18b105 100644 --- a/src/mixins/bonds.ts +++ b/src/mixins/bonds.ts @@ -1,7 +1,6 @@ -import { math } from "@mat3ra/code/dist/js/math"; import { AtomicElementSchema } from "@mat3ra/esse/dist/js/types"; -import { Made } from "@mat3ra/made"; import { filterBondsDataByElementsAndOrder, getElementsBondsData } from "@mat3ra/periodic-table"; +import { sharedUtils } from "@mat3ra/utils"; import createKDTree from "static-kdtree"; import * as THREE from "three"; @@ -57,7 +56,7 @@ export const BondsMixin = (superclass: any) => coordinate2: number[], bondsData: BondDataInterface[], ): boolean { - const distance = Made.math.vDist(coordinate1, coordinate2); + const distance = sharedUtils.math.vDist(coordinate1, coordinate2); const connectivityFactor = this.settings.chemicalConnectivityFactor; return Boolean( filterBondsDataByElementsAndOrder(bondsData, element1, element2).find( @@ -101,7 +100,7 @@ export const BondsMixin = (superclass: any) => const connectivityFactor = this.settings.chemicalConnectivityFactor; return ( connectivityFactor * - math.max(bondsData.map((b: BondDataInterface) => b.length.value || 0)) + sharedUtils.math.max(bondsData.map((b: BondDataInterface) => b.length.value || 0)) ); } diff --git a/src/mixins/boundary.js b/src/mixins/boundary.js index 9b23650..299a9d3 100644 --- a/src/mixins/boundary.js +++ b/src/mixins/boundary.js @@ -1,4 +1,3 @@ -import { Made } from "@mat3ra/made"; import * as THREE from "three"; import { BOUNDARY_CONDITIONS } from "../enums"; @@ -119,7 +118,7 @@ export const BoundaryMixin = (superclass) => coordinate: [ coord[0], coord[1], - Made.math.abs(coord[2]) <= 0.5 ? coord[2] : coord[2] - 1, + Math.abs(coord[2]) <= 0.5 ? coord[2] : coord[2] - 1, ], }); }); diff --git a/tests/__tests__/mixins/boundary.js b/tests/__tests__/mixins/boundary.js new file mode 100644 index 0000000..34d7687 --- /dev/null +++ b/tests/__tests__/mixins/boundary.js @@ -0,0 +1,26 @@ +import { Made } from "@mat3ra/made"; +import expect from "expect"; +import { mix } from "mixwith"; + +import { BoundaryMixin } from "../../../src/mixins/boundary"; +import { MATERIAL_CONFIG } from "../../enums"; + +class BoundaryMixinTestBase { + constructor(config) { + this.boundaryConditions = config.boundaryConditions || {}; + const material = new Made.Material(MATERIAL_CONFIG); + this.basis = material.Basis; + } +} + +const BoundaryMixinTestClass = mix(BoundaryMixinTestBase).with(BoundaryMixin); + +test("basisWithElementsInsideNonPeriodicBoundaries with bc1 does not throw", () => { + const instance = new BoundaryMixinTestClass({ + boundaryConditions: { type: "bc1", offset: 0 }, + }); + + expect(instance.basisWithElementsInsideNonPeriodicBoundaries.elements.length).toBeGreaterThan( + 0, + ); +});