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"@mat3ra/cove": "https://github.com/mat3ra/cove/releases/download/wip-3374a52/cove.tgz", - "@mat3ra/wave.js": "https://github.com/mat3ra/wave.js/releases/download/wip-1bd0a38/wave.js.tgz", + "@mat3ra/cove": "2026.8.19-4", + "@mat3ra/wave.js": "2026.8.19-0", "@emotion/babel-plugin": "^11.11.0", "@emotion/react": "^11.11.0", "@emotion/styled": "^11.11.0", diff --git a/src/components/BrillouinZone.tsx b/src/components/BrillouinZone.tsx new file mode 100644 index 0000000..4f56af2 --- /dev/null +++ b/src/components/BrillouinZone.tsx @@ -0,0 +1,189 @@ +import Box from "@mui/material/Box"; +import { useTheme } from "@mui/material/styles"; +import Typography from "@mui/material/Typography"; +import React, { useMemo } from "react"; + +/** + * Structural shape of a zone face, matching `BrillouinZoneFace` from + * `@mat3ra/made`'s `ReciprocalLattice.brillouinZone`. Declared structurally rather than + * imported so this view layer does not pin a `made` version. + */ +export interface BrillouinZoneFaceLike { + vertices: number[][]; + normal: number[]; +} + +export interface BrillouinZoneProps { + /** + * Zone faces, i.e. `new ReciprocalLattice(material.lattice).brillouinZone`. When absent, + * the component falls back to {@link BrillouinZoneProps.imgSrc}. + */ + faces?: BrillouinZoneFaceLike[] | null; + /** Bravais lattice type, shown in the caption. */ + latticeType?: string; + /** Pre-rendered artwork, used only when no `faces` are given. */ + imgSrc?: string; + description?: React.ReactNode; + /** Rendered size in pixels. */ + size?: number; +} + +/** Fixed three-quarter view: the zone is an illustration, not an interactive scene. */ +const VIEW_YAW = Math.PI / 5; +const VIEW_PITCH = Math.PI / 7; +const PADDING = 12; + +interface ProjectedPoint { + x: number; + y: number; + depth: number; +} + +function project(vertex: number[]): ProjectedPoint { + const [x, y, z] = vertex; + const cosYaw = Math.cos(VIEW_YAW); + const sinYaw = Math.sin(VIEW_YAW); + const rotatedX = x * cosYaw + z * sinYaw; + const rotatedZ = -x * sinYaw + z * cosYaw; + + const cosPitch = Math.cos(VIEW_PITCH); + const sinPitch = Math.sin(VIEW_PITCH); + const rotatedY = y * cosPitch - rotatedZ * sinPitch; + + // SVG's y axis grows downward, hence the negation. + return { x: rotatedX, y: -rotatedY, depth: y * sinPitch + rotatedZ * cosPitch }; +} + +interface ProjectedFace { + points: string; + depth: number; + shade: number; +} + +export function projectBrillouinZoneFaces( + faces: BrillouinZoneFaceLike[], + size: number, +): ProjectedFace[] { + const projectedByFace = faces.map((face) => face.vertices.map(project)); + const allPoints = projectedByFace.flat(); + const minimumX = Math.min(...allPoints.map((point) => point.x)); + const maximumX = Math.max(...allPoints.map((point) => point.x)); + const minimumY = Math.min(...allPoints.map((point) => point.y)); + const maximumY = Math.max(...allPoints.map((point) => point.y)); + const span = Math.max(maximumX - minimumX, maximumY - minimumY) || 1; + const scaleFactor = (size - 2 * PADDING) / span; + const offsetX = PADDING + (size - 2 * PADDING - (maximumX - minimumX) * scaleFactor) / 2; + const offsetY = PADDING + (size - 2 * PADDING - (maximumY - minimumY) * scaleFactor) / 2; + + return ( + projectedByFace + .map((projected, index) => { + const points = projected + .map( + (point) => + `${(offsetX + (point.x - minimumX) * scaleFactor).toFixed(2)},${( + offsetY + + (point.y - minimumY) * scaleFactor + ).toFixed(2)}`, + ) + .join(" "); + const depth = + projected.reduce((sum, point) => sum + point.depth, 0) / + (projected.length || 1); + const [normalX, normalY, normalZ] = faces[index].normal; + // Lambert-ish shading from a light above and to the viewer's left. + const shade = Math.max(0, normalX * -0.3 + normalY * 0.55 + normalZ * 0.78); + return { points, depth, shade }; + }) + // Painter's algorithm: the zone is convex, so far-to-near ordering hides back faces. + .sort((left, right) => left.depth - right.depth) + ); +} + +/** + * Draws the first Brillouin zone from geometry rather than fetching one image per lattice type. + * + * Supersedes `BrillouinZoneImage`: pass `faces` from `@mat3ra/made`'s + * `ReciprocalLattice.brillouinZone` and the zone reflects the material's actual cell, so two + * materials of the same Bravais type but different axial ratios — a monolayer with vacuum + * padding and a bulk crystal, say — no longer render identically. Hosts that still have + * artwork can keep passing `imgSrc`, which is used when `faces` is absent. + */ +export function BrillouinZone({ + faces, + latticeType, + imgSrc, + description, + size = 220, +}: BrillouinZoneProps) { + const theme = useTheme(); + const projectedFaces = useMemo( + () => (faces && faces.length ? projectBrillouinZoneFaces(faces, size) : null), + [faces, size], + ); + + if (!projectedFaces) { + if (!imgSrc) return null; + return ( + + {latticeType ? ( + {`Brillouin zone: ${latticeType}`} + ) : null} + { + {description} + + ); + } + + const faceColor = theme.palette.primary.main; + const edgeColor = theme.palette.background.paper; + + return ( + + + {projectedFaces.map((face) => ( + + ))} + + + {latticeType + ? `First Brillouin zone — ${latticeType} lattice` + : "First Brillouin zone"} + + {description} + + ); +} + +export default BrillouinZone; diff --git a/src/exports.ts b/src/exports.ts index fd3724a..9d979ea 100644 --- a/src/exports.ts +++ b/src/exports.ts @@ -4,4 +4,9 @@ export { default as Model } from "./components/Model"; export { default as Method } from "./components/Method"; export { default as MethodData } from "./components/MethodData"; export { default as BrillouinZoneImage } from "./components/BrillouinZoneImage"; +export { + BrillouinZone, + type BrillouinZoneFaceLike, + type BrillouinZoneProps, +} from "./components/BrillouinZone"; export { PseudoPanel, PseudoSearchBar } from "./components/pseudopotential/PseudoPanel"; diff --git a/tests/brillouinZone.tests.ts b/tests/brillouinZone.tests.ts new file mode 100644 index 0000000..ff2dd3f --- /dev/null +++ b/tests/brillouinZone.tests.ts @@ -0,0 +1,115 @@ +/* eslint-disable @typescript-eslint/no-floating-promises */ +import assert from "node:assert"; +import test from "node:test"; + +import { + type BrillouinZoneFaceLike, + projectBrillouinZoneFaces, +} from "../src/components/BrillouinZone"; + +/** Unit cube centred on the origin: six square faces, enough to exercise the projection. */ +const CUBE_FACES: BrillouinZoneFaceLike[] = [ + { + normal: [0, 0, 1], + vertices: [ + [-1, -1, 1], + [1, -1, 1], + [1, 1, 1], + [-1, 1, 1], + ], + }, + { + normal: [0, 0, -1], + vertices: [ + [-1, -1, -1], + [-1, 1, -1], + [1, 1, -1], + [1, -1, -1], + ], + }, + { + normal: [1, 0, 0], + vertices: [ + [1, -1, -1], + [1, 1, -1], + [1, 1, 1], + [1, -1, 1], + ], + }, + { + normal: [-1, 0, 0], + vertices: [ + [-1, -1, -1], + [-1, -1, 1], + [-1, 1, 1], + [-1, 1, -1], + ], + }, + { + normal: [0, 1, 0], + vertices: [ + [-1, 1, -1], + [-1, 1, 1], + [1, 1, 1], + [1, 1, -1], + ], + }, + { + normal: [0, -1, 0], + vertices: [ + [-1, -1, -1], + [1, -1, -1], + [1, -1, 1], + [-1, -1, 1], + ], + }, +]; + +const SIZE = 220; + +function parsePoints(points: string): Array<[number, number]> { + return points.split(" ").map((pair) => pair.split(",").map(Number) as [number, number]); +} + +test("projects every face to a polygon with the same vertex count", () => { + const projected = projectBrillouinZoneFaces(CUBE_FACES, SIZE); + assert.strictEqual(projected.length, CUBE_FACES.length); + projected.forEach((face) => assert.strictEqual(parsePoints(face.points).length, 4)); +}); + +test("fits the drawing inside the viewport", () => { + const projected = projectBrillouinZoneFaces(CUBE_FACES, SIZE); + const coordinates = projected.flatMap((face) => parsePoints(face.points).flat()); + assert.ok(Math.min(...coordinates) >= 0, "no coordinate falls outside the left/top edge"); + assert.ok( + Math.max(...coordinates) <= SIZE, + "no coordinate falls outside the right/bottom edge", + ); +}); + +test("orders faces back to front so the painter's algorithm hides rear faces", () => { + const projected = projectBrillouinZoneFaces(CUBE_FACES, SIZE); + const depths = projected.map((face) => face.depth); + const sorted = [...depths].sort((left, right) => left - right); + assert.deepStrictEqual(depths, sorted); +}); + +test("shades faces by orientation, brightest towards the light", () => { + const projected = projectBrillouinZoneFaces(CUBE_FACES, SIZE); + const shades = projected.map((face) => face.shade); + assert.ok(Math.max(...shades) > Math.min(...shades), "faces are not uniformly shaded"); + assert.ok( + shades.every((shade) => shade >= 0), + "shading never goes negative", + ); +}); + +test("scales with the requested size", () => { + const small = projectBrillouinZoneFaces(CUBE_FACES, 100); + const large = projectBrillouinZoneFaces(CUBE_FACES, 400); + const extent = (faces: ReturnType) => { + const xs = faces.flatMap((face) => parsePoints(face.points).map(([x]) => x)); + return Math.max(...xs) - Math.min(...xs); + }; + assert.ok(extent(large) > extent(small)); +});