matterviz 0.3.6 → 0.4.0

package/dist/src/lib/fermi-surface/compute.ts

@@ -1,728 +0,0 @@
-// Fermi surface computation and analysis functions
-import * as math from '$lib/math'
-import { EPS, type Matrix3x3, type Vec3 } from '$lib/math'
-import {
-  CLOSED_CONTOUR_TOLERANCE,
-  IRREDUCIBLE_BZ_MIN_VERTICES,
-  IRREDUCIBLE_BZ_TOLERANCE,
-  SPANNING_THRESHOLD,
-} from './constants'
-import { marching_cubes } from './marching-cubes'
-import type {
-  BandGridData,
-  FermiSliceData,
-  FermiSliceOptions,
-  FermiSurfaceData,
-  FermiSurfaceMetadata,
-  FermiSurfaceOptions,
-  Isoline,
-  Isosurface,
-  SpinChannel,
-  SurfaceDimensionality,
-} from './types'
-
-const safe_mod = (val: number, dim: number) => ((val % dim) + dim) % dim
-
-// Precompute Catmull-Rom coefficients for a given t value
-// Returns [c0, c1, c2, c3] where result = c0*p0 + c1*p1 + c2*p2 + c3*p3
-function catmull_rom_coeffs(t: number): [number, number, number, number] {
-  const t2 = t * t
-  const t3 = t2 * t
-  const c1 = 0.5 * (-t + 2 * t2 - t3)
-  const c2 = 0.5 * (2 - 5 * t2 + 3 * t3)
-  const c3 = 0.5 * (t + 4 * t2 - 3 * t3)
-  const c4 = 0.5 * (-t2 + t3)
-  return [c1, c2, c3, c4]
-}
-
-// Tricubic interpolation with cached wrap indices and precomputed coefficients
-function tricubic_interpolate(
-  grid: number[][][],
-  fx: number,
-  fy: number,
-  fz: number,
-  nx: number,
-  ny: number,
-  nz: number,
-): number {
-  // Get integer and fractional parts
-  const ix = Math.floor(fx)
-  const iy = Math.floor(fy)
-  const iz = Math.floor(fz)
-
-  // Precompute Catmull-Rom coefficients
-  const [cx0, cx1, cx2, cx3] = catmull_rom_coeffs(fx - ix)
-  const [cy0, cy1, cy2, cy3] = catmull_rom_coeffs(fy - iy)
-  const [cz0, cz1, cz2, cz3] = catmull_rom_coeffs(fz - iz)
-
-  // Precompute wrapped indices (avoid modulo in inner loop)
-  const wrap_x = (v: number) => ((v % nx) + nx) % nx
-  const wrap_y = (v: number) => ((v % ny) + ny) % ny
-  const wrap_z = (v: number) => ((v % nz) + nz) % nz
-
-  const wx = [wrap_x(ix - 1), wrap_x(ix), wrap_x(ix + 1), wrap_x(ix + 2)]
-  const wy = [wrap_y(iy - 1), wrap_y(iy), wrap_y(iy + 1), wrap_y(iy + 2)]
-  const wz = [wrap_z(iz - 1), wrap_z(iz), wrap_z(iz + 1), wrap_z(iz + 2)]
-
-  // Interpolate along z, then y, then x (fully inlined)
-  let result = 0
-  const cx = [cx0, cx1, cx2, cx3]
-  const cy = [cy0, cy1, cy2, cy3]
-  const cz = [cz0, cz1, cz2, cz3]
-
-  for (let xi = 0; xi < 4; xi++) {
-    const row = grid[wx[xi]]
-    let y_sum = 0
-    for (let yi = 0; yi < 4; yi++) {
-      const col = row[wy[yi]]
-      // Inline z interpolation
-      y_sum +=
-        cy[yi] *
-        (cz[0] * col[wz[0]] + cz[1] * col[wz[1]] + cz[2] * col[wz[2]] + cz[3] * col[wz[3]])
-    }
-    result += cx[xi] * y_sum
-  }
-
-  return result
-}
-
-// Upsample a 3D grid using tricubic interpolation for smoother surfaces
-function upsample_grid(grid: number[][][], factor: number): number[][][] {
-  if (factor <= 1) return grid
-
-  const nx = grid.length
-  const ny = grid[0]?.length || 0
-  const nz = grid[0]?.[0]?.length || 0
-
-  const new_nx = Math.round(nx * factor)
-  const new_ny = Math.round(ny * factor)
-  const new_nz = Math.round(nz * factor)
-
-  // Precompute fractional coordinates for each axis
-  const fx_arr = new Float64Array(new_nx)
-  const fy_arr = new Float64Array(new_ny)
-  const fz_arr = new Float64Array(new_nz)
-
-  for (let ix = 0; ix < new_nx; ix++) fx_arr[ix] = (ix / new_nx) * nx
-  for (let iy = 0; iy < new_ny; iy++) fy_arr[iy] = (iy / new_ny) * ny
-  for (let iz = 0; iz < new_nz; iz++) fz_arr[iz] = (iz / new_nz) * nz
-
-  // Preallocate output grid
-  const new_grid: number[][][] = Array(new_nx)
-
-  for (let ix = 0; ix < new_nx; ix++) {
-    const fx = fx_arr[ix]
-    const iy_arr: number[][] = Array(new_ny)
-    for (let iy = 0; iy < new_ny; iy++) {
-      const fy = fy_arr[iy]
-      const iz_arr = new Float64Array(new_nz)
-      for (let iz = 0; iz < new_nz; iz++) {
-        iz_arr[iz] = tricubic_interpolate(grid, fx, fy, fz_arr[iz], nx, ny, nz)
-      }
-      // Convert Float64Array back to regular array for compatibility
-      iy_arr[iy] = Array.from(iz_arr)
-    }
-    new_grid[ix] = iy_arr
-  }
-
-  return new_grid
-}
-
-// Extract Fermi surface from band grid data
-export function extract_fermi_surface(
-  band_data: BandGridData,
-  options: FermiSurfaceOptions = {},
-): FermiSurfaceData {
-  const {
-    mu = 0,
-    wigner_seitz = true,
-    compute_velocities = false,
-    compute_dimensionality = false,
-    selected_bands,
-    interpolation_factor = 1,
-    selected_spins,
-  } = options
-
-  const iso_value = band_data.fermi_energy + mu
-  const isosurfaces: Isosurface[] = []
-  let total_area = 0
-
-  // Process each spin channel and band
-  for (let spin_idx = 0; spin_idx < band_data.n_spins; spin_idx++) {
-    const spin: SpinChannel = band_data.n_spins === 2 ? (spin_idx === 0 ? `up` : `down`) : null
-
-    // Skip if spin not selected
-    if (selected_spins && !selected_spins.includes(spin)) continue
-
-    for (let band_idx = 0; band_idx < band_data.n_bands; band_idx++) {
-      // Skip if band not selected
-      if (selected_bands && !selected_bands.includes(band_idx)) continue
-
-      const raw_energies = band_data.energies[spin_idx][band_idx]
-
-      // Check if Fermi level intersects this band
-      if (!band_intersects_fermi(raw_energies, iso_value)) continue
-
-      // Apply interpolation for smoother surfaces
-      const energies =
-        interpolation_factor > 1
-          ? upsample_grid(raw_energies, interpolation_factor)
-          : raw_energies
-
-      // Extract isosurface using marching cubes
-      // Use periodic: false because BXSF grids include both endpoints (k=0 and k=1)
-      // which are equivalent due to BZ periodicity. This matches scikit-image behavior.
-      const mc_result = marching_cubes(energies, iso_value, band_data.k_lattice, {
-        periodic: false,
-        interpolate: true,
-      })
-
-      if (mc_result.vertices.length === 0) continue
-
-      // Build isosurface
-      // Note: We don't clip to Wigner-Seitz BZ here because marching cubes output is in
-      // a centered parallelepiped cell. BZ symmetry tiling in renderer handles full BZ.
-      const isosurface: Isosurface = {
-        vertices: mc_result.vertices,
-        faces: mc_result.faces,
-        normals: mc_result.normals,
-        band_index: band_idx,
-        spin,
-      }
-
-      // Compute surface area
-      isosurface.area = compute_surface_area(isosurface)
-      total_area += isosurface.area
-
-      // Compute Fermi velocities if requested
-      if (compute_velocities && band_data.velocities) {
-        isosurface.properties = compute_fermi_velocities(
-          isosurface,
-          band_data.velocities[spin_idx][band_idx],
-          band_data.k_lattice,
-          band_data.k_grid,
-        )
-        isosurface.avg_velocity =
-          isosurface.properties.reduce((s, v) => s + v, 0) / isosurface.properties.length
-      }
-
-      // Compute dimensionality if requested
-      if (compute_dimensionality) {
-        const { dimensionality, orientation } = analyze_surface_topology(
-          isosurface,
-          null, // BZ data not used for topology analysis since we don't clip to Wigner-Seitz
-        )
-        isosurface.dimensionality = dimensionality
-        isosurface.orientation = orientation
-      }
-
-      isosurfaces.push(isosurface)
-    }
-  }
-
-  const metadata: FermiSurfaceMetadata = {
-    n_bands: band_data.n_bands,
-    n_surfaces: isosurfaces.length,
-    total_area,
-    has_spin: band_data.n_spins === 2,
-    has_velocities: compute_velocities && band_data.velocities !== undefined,
-  }
-
-  return {
-    isosurfaces,
-    k_lattice: band_data.k_lattice,
-    fermi_energy: band_data.fermi_energy,
-    reciprocal_cell: wigner_seitz ? `wigner_seitz` : `parallelepiped`,
-    metadata,
-  }
-}
-
-// Check if Fermi level intersects a band (has values both above and below)
-function band_intersects_fermi(energies: number[][][], iso_value: number): boolean {
-  let has_below = false
-  let has_above = false
-
-  for (const plane of energies) {
-    for (const row of plane) {
-      for (const energy of row) {
-        if (energy < iso_value) has_below = true
-        else if (energy > iso_value) has_above = true
-        if (has_below && has_above) return true
-      }
-    }
-  }
-  return false
-}
-
-// Compute surface area of an isosurface (assumes triangular faces from marching cubes)
-export function compute_surface_area(surface: Isosurface): number {
-  let total_area = 0
-  const verts = surface.vertices
-
-  for (const face of surface.faces) {
-    if (face.length < 3) continue
-    const [v0x, v0y, v0z] = verts[face[0]]
-    const [v1x, v1y, v1z] = verts[face[1]]
-    const [v2x, v2y, v2z] = verts[face[2]]
-
-    // Inlined edge subtraction and cross product
-    const [e1x, e1y, e1z] = [v1x - v0x, v1y - v0y, v1z - v0z]
-    const [e2x, e2y, e2z] = [v2x - v0x, v2y - v0y, v2z - v0z]
-    const cx = e1y * e2z - e1z * e2y
-    const cy = e1z * e2x - e1x * e2z
-    const cz = e1x * e2y - e1y * e2x
-
-    // Area is half the magnitude of cross product
-    total_area += Math.sqrt(cx * cx + cy * cy + cz * cz) * 0.5
-  }
-
-  return total_area
-}
-
-// Compute Fermi velocities at surface vertices
-function compute_fermi_velocities(
-  surface: Isosurface,
-  velocity_grid: Vec3[][][],
-  k_lattice: Matrix3x3,
-  k_grid: Vec3,
-): number[] {
-  const [nx, ny, nz] = k_grid
-  const velocities: number[] = []
-
-  // Inverse of k_lattice for Cartesian to fractional conversion
-  const k_inv = math.matrix_inverse_3x3(k_lattice)
-
-  for (const vertex of surface.vertices) {
-    // Convert Cartesian to fractional coordinates
-    const frac = math.mat3x3_vec3_multiply(k_inv, vertex)
-
-    // Wrap to [0, 1)
-    const wrapped: Vec3 = [
-      ((frac[0] % 1) + 1) % 1,
-      ((frac[1] % 1) + 1) % 1,
-      ((frac[2] % 1) + 1) % 1,
-    ]
-
-    // Grid indices (with interpolation)
-    const gx = wrapped[0] * nx
-    const gy = wrapped[1] * ny
-    const gz = wrapped[2] * nz
-
-    // Trilinear interpolation of velocity
-    const velocity = trilinear_interpolate_vec3(velocity_grid, gx, gy, gz)
-    velocities.push(Math.hypot(...velocity)) // magnitude
-  }
-
-  return velocities
-}
-
-// Trilinear interpolation for Vec3 grid
-// Note: Assumes x, y, z are non-negative (e.g. from wrapped fractional coordinates)
-function trilinear_interpolate_vec3(grid: Vec3[][][], x: number, y: number, z: number): Vec3 {
-  const nx = grid.length
-  const ny = grid[0]?.length || 0
-  const nz = grid[0]?.[0]?.length || 0
-
-  // Guard against empty or malformed grids to prevent division by zero in modulo
-  if (nx === 0 || ny === 0 || nz === 0) return [0, 0, 0]
-
-  // Use safe modulo pattern to handle negative values from floating-point edge cases
-  const x0 = safe_mod(Math.floor(x), nx)
-  const y0 = safe_mod(Math.floor(y), ny)
-  const z0 = safe_mod(Math.floor(z), nz)
-  const x1 = (x0 + 1) % nx
-  const y1 = (y0 + 1) % ny
-  const z1 = (z0 + 1) % nz
-
-  const xd = x - Math.floor(x)
-  const yd = y - Math.floor(y)
-  const zd = z - Math.floor(z)
-
-  const c000 = grid[x0][y0][z0]
-  const c001 = grid[x0][y0][z1]
-  const c010 = grid[x0][y1][z0]
-  const c011 = grid[x0][y1][z1]
-  const c100 = grid[x1][y0][z0]
-  const c101 = grid[x1][y0][z1]
-  const c110 = grid[x1][y1][z0]
-  const c111 = grid[x1][y1][z1]
-
-  const c00 = math.lerp_vec3(c000, c100, xd)
-  const c01 = math.lerp_vec3(c001, c101, xd)
-  const c10 = math.lerp_vec3(c010, c110, xd)
-  const c11 = math.lerp_vec3(c011, c111, xd)
-
-  const c0 = math.lerp_vec3(c00, c10, yd)
-  const c1 = math.lerp_vec3(c01, c11, yd)
-
-  return math.lerp_vec3(c0, c1, zd)
-}
-
-// Analyze surface topology to determine dimensionality
-function analyze_surface_topology(
-  surface: Isosurface,
-  bz_data: { vertices: Vec3[] } | null,
-): { dimensionality: SurfaceDimensionality; orientation: Vec3 | null } {
-  if (surface.vertices.length === 0) {
-    return { dimensionality: `3D`, orientation: null }
-  }
-
-  // Check if surface spans the full BZ in each direction
-  const bz_extent = bz_data
-    ? math.compute_bounding_box(bz_data.vertices)
-    : { min: [-1, -1, -1] as Vec3, max: [1, 1, 1] as Vec3 }
-
-  const surface_extent = math.compute_bounding_box(surface.vertices)
-
-  // Check spanning in each direction
-  const spans: [boolean, boolean, boolean] = [false, false, false]
-  for (let axis_idx = 0; axis_idx < 3; axis_idx++) {
-    const bz_size = bz_extent.max[axis_idx] - bz_extent.min[axis_idx]
-    const surface_size = surface_extent.max[axis_idx] - surface_extent.min[axis_idx]
-    // Consider spanning if surface covers significant fraction of BZ extent
-    spans[axis_idx] = surface_size > SPANNING_THRESHOLD * bz_size
-  }
-
-  const n_spanning = spans.filter(Boolean).length
-
-  if (n_spanning === 0) {
-    // Closed surface, no spanning directions
-    return { dimensionality: `3D`, orientation: null }
-  } else if (n_spanning === 1) {
-    // 2D sheet spanning one direction
-    const axis_idx = spans.indexOf(true)
-    const orientation: Vec3 = [0, 0, 0]
-    orientation[axis_idx] = 1
-    return { dimensionality: `2D`, orientation }
-  } else if (n_spanning === 2) {
-    // 1D noodle-like (tube spanning 2 directions, bounded in 1)
-    const axis_idx = spans.indexOf(false)
-    const orientation: Vec3 = [0, 0, 0]
-    orientation[axis_idx] = 1
-    return { dimensionality: `1D`, orientation }
-  } else {
-    // Spans all 3 directions - complex warped network
-    return { dimensionality: `quasi-2D`, orientation: null }
-  }
-}
-
-// Compute 2D Fermi slice along a specified plane
-export function compute_fermi_slice(
-  fermi_data: FermiSurfaceData,
-  options: FermiSliceOptions = {},
-): FermiSliceData {
-  const { miller_indices = [0, 0, 1], distance = 0 } = options
-
-  // Validate miller indices are not all zero
-  if (miller_indices[0] === 0 && miller_indices[1] === 0 && miller_indices[2] === 0) {
-    throw new Error(
-      `Invalid miller indices [0, 0, 0]: at least one index must be non-zero to define a plane`,
-    )
-  }
-
-  // Compute plane normal in Cartesian coordinates
-  const plane_normal = math.add(
-    math.add(
-      math.scale(fermi_data.k_lattice[0], miller_indices[0]),
-      math.scale(fermi_data.k_lattice[1], miller_indices[1]),
-    ),
-    math.scale(fermi_data.k_lattice[2], miller_indices[2]),
-  )
-
-  const normal_len = Math.hypot(...plane_normal)
-  if (normal_len < EPS) {
-    throw new Error(
-      `Degenerate plane normal: k_lattice vectors produce a zero-length normal for miller indices [${miller_indices.join(
-        `, `,
-      )}]`,
-    )
-  }
-  const unit_normal = math.normalize_vec3(plane_normal)
-
-  // Compute in-plane basis vectors
-  const [in_plane_u, in_plane_v] = math.compute_in_plane_basis(unit_normal)
-
-  // Slice each isosurface
-  const isolines: Isoline[] = []
-
-  for (const surface of fermi_data.isosurfaces) {
-    const lines = slice_surface_with_plane(
-      surface,
-      unit_normal,
-      distance,
-      in_plane_u,
-      in_plane_v,
-    )
-    isolines.push(...lines)
-  }
-
-  return {
-    isolines,
-    plane_normal: unit_normal,
-    plane_distance: distance,
-    k_lattice_2d: [in_plane_u, in_plane_v],
-    metadata: {
-      n_lines: isolines.length,
-      has_properties: isolines.some((line) => line.properties !== undefined),
-    },
-  }
-}
-
-// Helper to create edge key (sorted vertex indices)
-const make_edge_key = (v0_idx: number, v1_idx: number): string =>
-  `${Math.min(v0_idx, v1_idx)},${Math.max(v0_idx, v1_idx)}`
-
-// Compute intersection point on an edge
-function compute_edge_intersection(
-  surface: Isosurface,
-  vertex_distances: number[],
-  v0_idx: number,
-  v1_idx: number,
-): { point: Vec3; property?: number } | null {
-  const d0 = vertex_distances[v0_idx]
-  const d1 = vertex_distances[v1_idx]
-
-  // Edge must cross the plane (opposite signs)
-  if (d0 * d1 >= 0) return null
-
-  const t = d0 / (d0 - d1)
-  const v0 = surface.vertices[v0_idx]
-  const v1 = surface.vertices[v1_idx]
-
-  const point: Vec3 = [
-    v0[0] + t * (v1[0] - v0[0]),
-    v0[1] + t * (v1[1] - v0[1]),
-    v0[2] + t * (v1[2] - v0[2]),
-  ]
-
-  let property: number | undefined
-  if (surface.properties) {
-    property =
-      surface.properties[v0_idx] +
-      t * (surface.properties[v1_idx] - surface.properties[v0_idx])
-  }
-
-  return { point, property }
-}
-
-// Slice a surface with a plane to get isolines
-// Uses contour tracing to produce properly ordered line segments
-function slice_surface_with_plane(
-  surface: Isosurface,
-  plane_normal: Vec3,
-  plane_distance: number,
-  in_plane_u: Vec3,
-  in_plane_v: Vec3,
-): Isoline[] {
-  if (surface.vertices.length === 0 || surface.faces.length === 0) return []
-
-  // Compute signed distance of each vertex to plane
-  const vertex_distances = surface.vertices.map(
-    (vert) => math.dot(vert, plane_normal) - plane_distance,
-  )
-
-  // Build edge-to-faces map and collect face segments
-  // Each face that intersects the plane produces exactly one line segment
-  type FaceSegment = {
-    face_idx: number
-    edge_keys: [string, string]
-    points: [Vec3, Vec3]
-    properties?: [number, number]
-  }
-
-  const face_segments: FaceSegment[] = []
-  const edge_to_faces = new Map<string, number[]>() // edge_key -> face indices
-
-  for (let face_idx = 0; face_idx < surface.faces.length; face_idx++) {
-    const face = surface.faces[face_idx]
-    if (face.length < 3) continue
-
-    // Find which edges of this face cross the plane
-    const crossing_edges: Array<{
-      edge_key: string
-      intersection: { point: Vec3; property?: number }
-    }> = []
-
-    for (let edge_idx = 0; edge_idx < face.length; edge_idx++) {
-      const v0_idx = face[edge_idx]
-      const v1_idx = face[(edge_idx + 1) % face.length]
-      const edge_key = make_edge_key(v0_idx, v1_idx)
-
-      const intersection = compute_edge_intersection(surface, vertex_distances, v0_idx, v1_idx)
-
-      if (intersection) {
-        crossing_edges.push({ edge_key, intersection })
-
-        // Register this face with the edge
-        const faces = edge_to_faces.get(edge_key) ?? []
-        faces.push(face_idx)
-        edge_to_faces.set(edge_key, faces)
-      }
-    }
-
-    // A face intersected by a plane has exactly 2 crossing edges
-    if (crossing_edges.length === 2) {
-      face_segments.push({
-        face_idx,
-        edge_keys: [crossing_edges[0].edge_key, crossing_edges[1].edge_key],
-        points: [crossing_edges[0].intersection.point, crossing_edges[1].intersection.point],
-        properties: surface.properties
-          ? [
-              crossing_edges[0].intersection.property ?? 0,
-              crossing_edges[1].intersection.property ?? 0,
-            ]
-          : undefined,
-      })
-    }
-  }
-
-  if (face_segments.length === 0) return []
-
-  // Build face_idx -> segment map for O(1) lookup
-  const face_to_segment = new Map<number, (typeof face_segments)[0]>()
-  for (const seg of face_segments) {
-    face_to_segment.set(seg.face_idx, seg)
-  }
-
-  // Precompute in-plane basis dot products for faster 2D projection
-  const [ux, uy, uz] = in_plane_u
-  const [vx, vy, vz] = in_plane_v
-
-  // Trace connected contours by following adjacent faces
-  const used_faces = new Set<number>()
-  const isolines: Isoline[] = []
-
-  for (const start_segment of face_segments) {
-    if (used_faces.has(start_segment.face_idx)) continue
-
-    // Start a new contour from this segment
-    // Use arrays that we'll reverse at the end instead of unshift (O(1) vs O(n))
-    const forward_points: Vec3[] = [start_segment.points[1]]
-    const backward_points: Vec3[] = []
-    const forward_props: number[] | undefined = start_segment.properties
-      ? [start_segment.properties[1]]
-      : undefined
-    const backward_props: number[] | undefined = start_segment.properties ? [] : undefined
-
-    used_faces.add(start_segment.face_idx)
-
-    // Helper to trace in one direction
-    const trace_direction = (
-      initial_edge: string,
-      points: Vec3[],
-      props: number[] | undefined,
-    ) => {
-      let current_edge = initial_edge
-      let found_next = true
-
-      while (found_next) {
-        found_next = false
-        const adjacent_faces = edge_to_faces.get(current_edge)
-        if (!adjacent_faces) break
-
-        for (const adj_face_idx of adjacent_faces) {
-          if (used_faces.has(adj_face_idx)) continue
-
-          const adj_segment = face_to_segment.get(adj_face_idx)
-          if (!adj_segment) continue
-
-          // Find which end connects to current_edge
-          let next_point_idx: number
-          let next_edge: string
-          if (adj_segment.edge_keys[0] === current_edge) {
-            next_point_idx = 1
-            next_edge = adj_segment.edge_keys[1]
-          } else if (adj_segment.edge_keys[1] === current_edge) {
-            next_point_idx = 0
-            next_edge = adj_segment.edge_keys[0]
-          } else {
-            continue
-          }
-
-          points.push(adj_segment.points[next_point_idx])
-          if (props && adj_segment.properties) {
-            props.push(adj_segment.properties[next_point_idx])
-          }
-
-          used_faces.add(adj_face_idx)
-          current_edge = next_edge
-          found_next = true
-          break
-        }
-      }
-    }
-
-    // Trace forward and backward
-    trace_direction(start_segment.edge_keys[1], forward_points, forward_props)
-    trace_direction(start_segment.edge_keys[0], backward_points, backward_props)
-
-    // Combine: backward (reversed) + start_point[0] + forward
-    backward_points.reverse()
-    if (backward_props) backward_props.reverse()
-
-    const contour_points: Vec3[] = [
-      ...backward_points,
-      start_segment.points[0],
-      ...forward_points,
-    ]
-    const contour_props: number[] | undefined =
-      backward_props && forward_props && start_segment.properties
-        ? [...backward_props, start_segment.properties[0], ...forward_props]
-        : undefined
-
-    // Check if contour is closed
-    const first = contour_points[0]
-    const last = contour_points[contour_points.length - 1]
-    const is_closed = math.euclidean_dist(first, last) < CLOSED_CONTOUR_TOLERANCE
-
-    // Project to 2D (inlined dot product for speed)
-    const points_2d: [number, number][] = Array(contour_points.length)
-    for (let idx = 0; idx < contour_points.length; idx++) {
-      const point = contour_points[idx]
-      points_2d[idx] = [
-        point[0] * ux + point[1] * uy + point[2] * uz,
-        point[0] * vx + point[1] * vy + point[2] * vz,
-      ]
-    }
-
-    isolines.push({
-      points: contour_points,
-      points_2d,
-      properties: contour_props,
-      band_index: surface.band_index,
-      spin: surface.spin,
-      is_closed,
-    })
-  }
-
-  return isolines
-}
-
-// Detect if Fermi surface data appears to cover only the irreducible BZ wedge.
-// For cubic Oh symmetry, this is the region where all vertices are in the first octant
-// (x >= 0, y >= 0, z >= 0) with some tolerance. Such data needs tiling to show the full BZ.
-export function detect_irreducible_bz(fermi_data: FermiSurfaceData): boolean {
-  if (fermi_data.isosurfaces.length === 0) return false
-
-  // Check if all vertices are in the positive octant (with small tolerance for numerical error)
-  let all_positive = true
-  let vertex_count = 0
-
-  for (const surface of fermi_data.isosurfaces) {
-    for (const vertex of surface.vertices) {
-      vertex_count++
-      if (
-        vertex[0] < -IRREDUCIBLE_BZ_TOLERANCE ||
-        vertex[1] < -IRREDUCIBLE_BZ_TOLERANCE ||
-        vertex[2] < -IRREDUCIBLE_BZ_TOLERANCE
-      ) {
-        all_positive = false
-        break
-      }
-    }
-    if (!all_positive) break
-  }
-
-  // Only consider it irreducible if we have significant data and all positive
-  return all_positive && vertex_count > IRREDUCIBLE_BZ_MIN_VERTICES
-}