matterviz 0.3.6 → 0.3.7

package/dist/src/lib/spectral/Bands.svelte

@@ -1,1040 +0,0 @@
-<script lang="ts">
-  import { PLOT_COLORS } from '$lib/colors'
-  import EmptyState from '$lib/EmptyState.svelte'
-  import { format_num } from '$lib/labels'
-  import { sanitize_html } from '$lib/sanitize'
-  import { SettingsSection } from '$lib/layout'
-  import type { Vec2 } from '$lib/math'
-  import ScatterPlot from '$lib/plot/ScatterPlot.svelte'
-  import type { AxisConfig, DataSeries, FillRegion } from '$lib/plot/types'
-  import * as helpers from '$lib/spectral/helpers'
-  import type {
-    BandsSpinMode,
-    BandStructureType,
-    BaseBandStructure,
-    FrequencyUnit,
-    LineKwargs,
-    PathMode,
-    RibbonConfig,
-  } from '$lib/spectral/types'
-  import type { ComponentProps } from 'svelte'
-  import { SvelteMap } from 'svelte/reactivity'
-
-  type Dom_attr_value = string | number | boolean
-
-  let {
-    band_structs,
-    line_kwargs = {},
-    path_mode = `strict`,
-    band_type = undefined,
-    show_legend = true,
-    x_axis = {},
-    y_axis = $bindable({}),
-    x_positions = $bindable(),
-    reference_frequency = null,
-    ribbon_config = {},
-    fermi_level = undefined,
-    units = $bindable(`THz`),
-    band_spin_mode = $bindable(`overlay`),
-    highlight_regions = [],
-    shade_imaginary_modes = true,
-    show_gap_annotation = true,
-    show_controls = true,
-    show_path_mode_control = true,
-    show_units_control = true,
-    show_spin_control = true,
-    show_annotation_controls = true,
-    id = undefined,
-    class: class_name = undefined,
-    style = undefined,
-    'data-testid': data_testid = undefined,
-    ...rest
-  }: ComponentProps<typeof ScatterPlot> & {
-    band_structs: BaseBandStructure | Record<string, BaseBandStructure>
-    x_axis?: AxisConfig
-    y_axis?: AxisConfig
-    line_kwargs?: LineKwargs
-    path_mode?: PathMode
-    band_type?: BandStructureType
-    show_legend?: boolean
-    x_positions?: Record<string, [number, number]>
-    reference_frequency?: number | null
-    ribbon_config?: RibbonConfig | Record<string, RibbonConfig>
-    fermi_level?: number // Fermi level for electronic bands (auto-detected if not provided)
-    units?: FrequencyUnit // Phonon frequency display units (electronic always eV)
-    band_spin_mode?: BandsSpinMode // Electronic spin display: overlay (default), up_only, down_only
-    highlight_regions?: {
-      y_min: number
-      y_max: number
-      color?: string
-      opacity?: number
-      label?: string
-    }[]
-    shade_imaginary_modes?: boolean // Shade y<0 region for phonon plots with imaginary modes
-    show_gap_annotation?: boolean // Annotate electronic VBM/CBM and gap when available
-    show_controls?: boolean
-    show_path_mode_control?: boolean
-    show_units_control?: boolean
-    show_spin_control?: boolean
-    show_annotation_controls?: boolean
-    id?: string
-    class?: string
-    style?: string
-    'data-testid'?: string
-  } = $props()
-
-  const is_dom_attr_value = (attr_value: unknown): attr_value is Dom_attr_value =>
-    typeof attr_value === `string` ||
-    typeof attr_value === `number` ||
-    typeof attr_value === `boolean`
-
-  // Helper function to get line styling for a band
-  function get_line_style(
-    color: string,
-    is_acoustic: boolean,
-    frequencies: number[],
-    band_idx: number,
-  ): { stroke: string; stroke_width: number } {
-    const defaults = { stroke: color, stroke_width: is_acoustic ? 1.5 : 1 }
-
-    if (typeof line_kwargs === `function`) {
-      const custom = line_kwargs(frequencies, band_idx)
-      return {
-        stroke: (custom.stroke as string) ?? defaults.stroke,
-        stroke_width: (custom.stroke_width as number) ?? defaults.stroke_width,
-      }
-    }
-
-    if (typeof line_kwargs === `object` && line_kwargs !== null) {
-      const mode_key = is_acoustic ? `acoustic` : `optical`
-      const mode_kwargs = (line_kwargs as Record<string, unknown>)[mode_key] as
-        | Record<string, unknown>
-        | undefined
-      const source = (mode_kwargs ?? line_kwargs) as Record<string, unknown>
-      return {
-        stroke: (source.stroke as string) ?? defaults.stroke,
-        stroke_width: (source.stroke_width as number) ?? defaults.stroke_width,
-      }
-    }
-
-    return defaults
-  }
-
-  // Ribbon data structure for rendering
-  interface RibbonData {
-    x_values: number[]
-    y_values: number[]
-    width_values: number[]
-    color: string
-    opacity: number
-    max_width: number
-    scale: number
-    band_idx: number
-    structure_label: string
-    segment_key: string
-  }
-
-  // Normalize input to dict format
-  // Supports multiple formats:
-  // - matterviz format: qpoints + branches arrays
-  // - pymatgen phonon: qpoints + bands (or frequencies_cm) arrays
-  // - pymatgen electronic: kpoints + bands arrays
-  let band_structs_dict = $derived.by(() => {
-    if (!band_structs) return {}
-
-    // Detect single band structure by checking for characteristic fields
-    // - pymatgen format: has @class or @module markers (may also have branches)
-    // - matterviz format: has qpoints + branches (no pymatgen markers)
-    const has_qpoints = `qpoints` in band_structs &&
-      Array.isArray(band_structs.qpoints) &&
-      band_structs.qpoints.length > 0
-    const has_kpoints = `kpoints` in band_structs &&
-      Array.isArray(band_structs.kpoints) &&
-      band_structs.kpoints.length > 0
-    const has_bands = `bands` in band_structs
-    const has_frequencies_cm = `frequencies_cm` in band_structs &&
-      Array.isArray(band_structs.frequencies_cm)
-    const has_branches = `branches` in band_structs
-    // Pymatgen structures have explicit class/module markers
-    const is_pymatgen = `@class` in band_structs || `@module` in band_structs
-
-    // Pymatgen single: has markers and point/band data (may have branches too)
-    const is_pymatgen_single = is_pymatgen &&
-      (has_qpoints || has_kpoints) &&
-      (has_bands || has_frequencies_cm)
-    // Matterviz single: has qpoints + branches but NO pymatgen markers
-    const is_matterviz_single = !is_pymatgen && has_qpoints && has_branches
-    const is_single = is_matterviz_single || is_pymatgen_single
-
-    const result: Record<string, BaseBandStructure> = {}
-
-    if (is_single) {
-      const normalized = helpers.normalize_band_structure(band_structs)
-      if (normalized) result.default = normalized
-    } else {
-      for (const [key, bs] of Object.entries(band_structs)) {
-        const normalized = helpers.normalize_band_structure(bs)
-        if (normalized) result[key] = normalized
-      }
-    }
-    return result
-  })
-
-  // Auto-detect band type if not explicitly set
-  let detected_band_type = $derived.by((): BandStructureType => {
-    if (band_type) return band_type
-    if (!band_structs) return `phonon`
-
-    // Single structure has marker fields; dict of structures has label keys
-    const is_single = `@class` in band_structs || `@module` in band_structs ||
-      `kpoints` in band_structs || `qpoints` in band_structs
-    const source = (is_single ? band_structs : Object.values(band_structs)[0]) as
-      | Record<string, unknown>
-      | undefined
-    if (!source) return `phonon`
-
-    // Electronic: has kpoints, BandStructure* class (not Phonon*), or electronic_structure module
-    const py_class_name = String(source[`@class`] ?? ``)
-    if (
-      (`kpoints` in source && Array.isArray(source.kpoints) &&
-        source.kpoints.length > 0) ||
-      (py_class_name.startsWith(`BandStructure`) &&
-        !py_class_name.startsWith(`Phonon`)) ||
-      String(source[`@module`] ?? ``).includes(`electronic_structure`)
-    ) return `electronic`
-
-    return `phonon`
-  })
-
-  // Auto-detect Fermi level from electronic band structure data if not explicitly provided
-  let effective_fermi_level = $derived.by((): number | undefined => {
-    if (fermi_level !== undefined) return fermi_level
-    if (detected_band_type !== `electronic`) return undefined
-
-    // Check raw input for efermi field
-    const source = `efermi` in (band_structs as object)
-      ? band_structs
-      : Object.values(band_structs)[0]
-    const efermi = (source as Record<string, unknown>)?.efermi
-    return typeof efermi === `number` ? efermi : undefined
-  })
-
-  let effective_spin_mode = $derived.by((): BandsSpinMode => {
-    if (detected_band_type !== `electronic`) return null
-    return (band_spin_mode === `up_only` || band_spin_mode === `down_only`)
-      ? band_spin_mode
-      : `overlay`
-  })
-
-  const convert_band_values = (values: number[]): number[] => {
-    if (detected_band_type !== `phonon`) return values
-    if (units === `THz`) return values
-    return helpers.convert_frequencies(values, units)
-  }
-
-  // Collect all path segments across structures once (shared by strict checks and plotting)
-  let all_segments = $derived.by(() => {
-    const collected_segments: Record<string, [string, BaseBandStructure][]> = {}
-    for (const [label, bs] of Object.entries(band_structs_dict)) {
-      for (const branch of bs.branches) {
-        const start_label = bs.qpoints[branch.start_index]?.label ?? undefined
-        const end_label = bs.qpoints[branch.end_index]?.label ?? undefined
-        const segment_key = helpers.get_segment_key(start_label, end_label)
-        collected_segments[segment_key] ??= []
-        collected_segments[segment_key].push([label, bs])
-      }
-    }
-    return collected_segments
-  })
-
-  let num_structures = $derived(Object.keys(band_structs_dict).length)
-  let all_segment_keys = $derived(Object.keys(all_segments))
-  let common_segment_keys = $derived.by(() =>
-    all_segment_keys.filter(
-      (segment_key) => all_segments[segment_key].length === num_structures,
-    )
-  )
-  let empty_state_attrs = $derived.by(() => {
-    const attrs: Record<string, Dom_attr_value> = {}
-    for (const [attr_name, attr_value] of Object.entries(rest)) {
-      if (
-        (attr_name === `role` || attr_name.startsWith(`aria-`)) &&
-        is_dom_attr_value(attr_value)
-      ) {
-        attrs[attr_name] = attr_value
-      }
-    }
-    return attrs
-  })
-
-  // Compute path mismatch details for strict mode handling
-  let strict_path_error = $derived.by((): string | null => {
-    if (path_mode !== `strict`) return null
-    return common_segment_keys.length === all_segment_keys.length
-      ? null
-      : `Band structures have different q-point paths. Switch to path_mode="union" or "intersection" to compare non-identical paths.`
-  })
-
-  // Determine which segments to plot based on path_mode
-  let segments_to_plot = $derived.by(() => {
-    if (path_mode === `union`) return new Set(all_segment_keys)
-    return new Set(common_segment_keys)
-  })
-
-  // Map segments to x-axis positions
-  $effect(() => {
-    if (Object.keys(band_structs_dict).length === 0 || segments_to_plot.size === 0) {
-      x_positions = {}
-      return
-    }
-    const positions: Record<string, [number, number]> = {}
-    let current_x = 0
-
-    // Preserve physical path order using the first available structure
-    const canonical = Object.values(band_structs_dict)[0]
-    if (!canonical) {
-      x_positions = {}
-      return
-    }
-    const ordered_segments = helpers.get_ordered_segments(canonical, segments_to_plot)
-
-    for (let seg_idx = 0; seg_idx < ordered_segments.length; seg_idx++) {
-      const segment_key = ordered_segments[seg_idx]
-      if (positions[segment_key]) continue
-
-      const [start_label, end_label] = segment_key.split(`_`)
-
-      // Find the first band structure that has this segment
-      for (const bs of Object.values(band_structs_dict)) {
-        const matching_branch = bs.branches.find((branch) => {
-          const branch_start = bs.qpoints[branch.start_index]?.label || `null`
-          const branch_end = bs.qpoints[branch.end_index]?.label || `null`
-          return branch_start === start_label && branch_end === end_label
-        })
-
-        if (matching_branch) {
-          // Check if this is a discontinuity: consecutive indices mean no path between points
-          const is_discontinuity =
-            matching_branch.end_index - matching_branch.start_index === 1
-
-          if (is_discontinuity) {
-            // Place at same x position as current, no advancement
-            positions[segment_key] = [current_x, current_x]
-          } else {
-            const segment_len = bs.distance[matching_branch.end_index] -
-              bs.distance[matching_branch.start_index]
-            positions[segment_key] = [current_x, current_x + segment_len]
-            current_x += segment_len
-          }
-          break
-        }
-      }
-    }
-
-    x_positions = positions
-  })
-
-  // Convert band structures to scatter plot series + track max slope in one pass
-  let { series_data, max_abs_slope } = $derived.by((): {
-    series_data: DataSeries[]
-    max_abs_slope: number
-  } => {
-    if (Object.keys(band_structs_dict).length === 0 || segments_to_plot.size === 0) {
-      return { series_data: [], max_abs_slope: 1 }
-    }
-
-    const all_series: DataSeries[] = []
-    let max_slope = 0
-
-    for (const [bs_idx, [label, bs]] of Object.entries(band_structs_dict).entries()) {
-      const color = PLOT_COLORS[bs_idx % PLOT_COLORS.length]
-      const structure_label = label || `Structure ${bs_idx + 1}`
-      const gamma_indices = detected_band_type === `phonon`
-        ? helpers.find_gamma_indices(bs)
-        : []
-
-      for (const branch of bs.branches) {
-        const start_idx = branch.start_index
-        const end_idx = branch.end_index + 1
-        const start_label = bs.qpoints[start_idx]?.label ?? undefined
-        const end_label = bs.qpoints[end_idx - 1]?.label ?? undefined
-        const segment_key = helpers.get_segment_key(start_label, end_label)
-
-        if (!segments_to_plot.has(segment_key)) continue
-
-        // Skip discontinuous segments (consecutive labeled points)
-        const is_discontinuity = branch.end_index - branch.start_index === 1
-        if (is_discontinuity) continue
-
-        const [x_start, x_end] = x_positions?.[segment_key] || [0, 1]
-
-        // Scale distances for this segment
-        const segment_distances = bs.distance.slice(start_idx, end_idx)
-        const scaled_distances = helpers.scale_segment_distances(
-          segment_distances,
-          x_start,
-          x_end,
-        )
-
-        // Create series for each band (and spin channel for electronic structures)
-        for (let band_idx = 0; band_idx < bs.nb_bands; band_idx++) {
-          const frequencies = convert_band_values(
-            bs.bands[band_idx].slice(start_idx, end_idx),
-          )
-          const is_acoustic = helpers.classify_acoustic(bs, band_idx, gamma_indices)
-
-          const line_style_up = get_line_style(
-            color,
-            is_acoustic === true,
-            frequencies,
-            band_idx,
-          )
-
-          const spin_down_band = bs.spin_down_bands?.[band_idx]
-          const has_spin_down_channel = detected_band_type === `electronic` &&
-            Array.isArray(spin_down_band) &&
-            spin_down_band.length >= end_idx
-
-          const track_max_slope = (meta: helpers.BandPointMeta[]) => {
-            for (const pt of meta) {
-              if (typeof pt.slope === `number` && Number.isFinite(pt.slope)) {
-                max_slope = Math.max(max_slope, Math.abs(pt.slope))
-              }
-            }
-          }
-
-          if (effective_spin_mode !== `down_only`) {
-            const meta = helpers.build_point_metadata({
-              x_vals: scaled_distances,
-              y_vals: frequencies,
-              band_idx,
-              spin: `up`,
-              is_acoustic,
-              bs,
-              start_idx,
-            })
-            track_max_slope(meta)
-            all_series.push({
-              x: scaled_distances,
-              y: frequencies,
-              markers: `line`,
-              label: has_spin_down_channel
-                ? `${structure_label} (↑)`
-                : structure_label,
-              line_style: line_style_up,
-              metadata: meta,
-            })
-          }
-
-          if (has_spin_down_channel && effective_spin_mode !== `up_only`) {
-            const spin_down_frequencies = convert_band_values(
-              spin_down_band.slice(start_idx, end_idx),
-            )
-            const meta = helpers.build_point_metadata({
-              x_vals: scaled_distances,
-              y_vals: spin_down_frequencies,
-              band_idx,
-              spin: `down`,
-              is_acoustic,
-              bs,
-              start_idx,
-            })
-            track_max_slope(meta)
-            all_series.push({
-              x: scaled_distances,
-              y: spin_down_frequencies,
-              markers: `line`,
-              label: `${structure_label} (↓)`,
-              line_style: {
-                ...line_style_up,
-                line_dash: `4,2`,
-                stroke_width: Math.max(1, line_style_up.stroke_width - 0.1),
-              },
-              metadata: meta,
-            })
-          }
-        }
-      }
-    }
-
-    return { series_data: all_series, max_abs_slope: max_slope || 1 }
-  })
-
-  // Compute ribbon data for bands with width information
-  let ribbon_data = $derived.by((): RibbonData[] => {
-    if (Object.keys(band_structs_dict).length === 0 || segments_to_plot.size === 0) {
-      return []
-    }
-
-    const all_ribbons: RibbonData[] = []
-
-    for (const [bs_idx, [label, bs]] of Object.entries(band_structs_dict).entries()) {
-      // Skip if this band structure has no width data
-      if (!bs.band_widths || bs.band_widths.length === 0) continue
-
-      const color = PLOT_COLORS[bs_idx % PLOT_COLORS.length]
-      const structure_label = label || `Structure ${bs_idx + 1}`
-      const config = helpers.get_ribbon_config(ribbon_config, label)
-
-      for (const branch of bs.branches) {
-        const start_idx = branch.start_index
-        const end_idx = branch.end_index + 1
-        const start_label = bs.qpoints[start_idx]?.label ?? undefined
-        const end_label = bs.qpoints[end_idx - 1]?.label ?? undefined
-        const segment_key = helpers.get_segment_key(start_label, end_label)
-
-        if (!segments_to_plot.has(segment_key)) continue
-
-        // Skip discontinuous segments
-        const is_discontinuity = branch.end_index - branch.start_index === 1
-        if (is_discontinuity) continue
-
-        const [x_start, x_end] = x_positions?.[segment_key] || [0, 1]
-
-        // Scale distances for this segment
-        const segment_distances = bs.distance.slice(start_idx, end_idx)
-        const scaled_distances = helpers.scale_segment_distances(
-          segment_distances,
-          x_start,
-          x_end,
-        )
-
-        // Create ribbon data for each band that has width data
-        for (let band_idx = 0; band_idx < bs.nb_bands; band_idx++) {
-          const band_widths = bs.band_widths[band_idx]
-          if (!band_widths) continue
-
-          const width_values = band_widths.slice(start_idx, end_idx)
-          // Skip if all widths are zero or missing
-          if (width_values.every((wv) => !wv || wv <= 0)) continue
-
-          const y_values = convert_band_values(
-            bs.bands[band_idx].slice(start_idx, end_idx),
-          )
-
-          all_ribbons.push({
-            x_values: scaled_distances,
-            y_values,
-            width_values,
-            color: config.color ?? color,
-            opacity: config.opacity ?? 0.3,
-            max_width: config.max_width ?? 6,
-            scale: config.scale ?? 1,
-            band_idx,
-            structure_label,
-            segment_key,
-          })
-        }
-      }
-    }
-
-    return all_ribbons
-  })
-
-  // Get x-axis tick positions with custom labels for symmetry points
-  let x_axis_ticks = $derived.by(() => {
-    const tick_map = new SvelteMap<number, string[]>()
-    const add_label = (pos: number, label: string) => {
-      let labels = tick_map.get(pos)
-      if (!labels) {
-        labels = []
-        tick_map.set(pos, labels)
-      }
-      if (!labels.includes(label)) labels.push(label)
-    }
-
-    Object.entries(x_positions ?? {})
-      .sort(([, [a]], [, [b]]) => a - b)
-      .forEach(([segment_key, [x_start, x_end]]) => {
-        const [start_lbl, end_lbl] = segment_key.split(`_`)
-        const pretty_start = start_lbl !== `null`
-          ? helpers.pretty_sym_point(start_lbl)
-          : ``
-        const pretty_end = end_lbl !== `null` ? helpers.pretty_sym_point(end_lbl) : ``
-
-        // Check if this is a discontinuity (zero-length segment)
-        const is_discontinuity = Math.abs(x_end - x_start) < 1e-6
-
-        if (is_discontinuity && pretty_start && pretty_end) {
-          // Combine labels at discontinuity points
-          add_label(x_start, pretty_start)
-          add_label(x_start, pretty_end)
-        } else {
-          // Normal segment with distinct start/end
-          if (pretty_start) add_label(x_start, pretty_start)
-          if (pretty_end) add_label(x_end, pretty_end)
-        }
-      })
-
-    // Merge labels at same position with pipe separator
-    return Object.fromEntries(
-      Array.from(tick_map.entries()).map(([pos, labels]) => [
-        pos,
-        labels.join(` | `),
-      ]),
-    )
-  })
-
-  let x_range = $derived.by((): Vec2 => {
-    const flat = Object.values(x_positions ?? {}).flat()
-    return [flat[0] ?? 0, flat.at(-1) ?? 1]
-  })
-
-  // Calculate y-range, enforcing 0 minimum for phonon bands without imaginary modes
-  let y_range = $derived.by((): Vec2 | undefined => {
-    const all_freqs = Object.values(band_structs_dict).flatMap((bs) => [
-      ...bs.bands.flat(),
-      ...(bs.spin_down_bands?.flat() ?? []),
-    ])
-    // Keep electronic y-range independent of phonon unit conversion options.
-    const display_values = detected_band_type === `phonon`
-      ? convert_band_values(all_freqs)
-      : all_freqs
-    if (!display_values.length) return undefined
-    const finite = display_values.filter(Number.isFinite)
-    if (!finite.length) return undefined
-    let min_val = Math.min(...finite), max_val = Math.max(...finite)
-    if (
-      // clamp phonon min to 0 if negatives are noise
-      detected_band_type === `phonon` && min_val < 0 &&
-      helpers.negative_fraction(finite) < helpers.IMAGINARY_MODE_NOISE_THRESHOLD
-    ) {
-      min_val = 0
-    }
-    const padding = (max_val - min_val) * 0.02
-    return [min_val === 0 ? 0 : min_val - padding, max_val + padding]
-  })
-
-  // Internal y_axis that ScatterPlot binds to - syncs zoom changes back to parent
-  let internal_y_axis = $derived({
-    label: detected_band_type === `phonon` ? `Frequency (${units})` : `Energy (eV)`,
-    format: `.2f`,
-    label_shift: { y: 15 },
-    range: y_range,
-    ...y_axis,
-  })
-
-  // Sync zoom changes from ScatterPlot back to parent via bindable y_axis
-  // Also clears parent range when internal range becomes invalid (auto-range reset)
-  $effect(() => {
-    const range = internal_y_axis.range
-    if (helpers.is_valid_range(range)) {
-      if (y_axis.range?.[0] !== range[0] || y_axis.range?.[1] !== range[1]) {
-        y_axis = { ...y_axis, range }
-      }
-      return
-    }
-    // Range became invalid - clear parent's range to propagate reset
-    if (`range` in y_axis) {
-      const { range: _omit, ...axis_without_range } = y_axis
-      y_axis = axis_without_range
-    }
-  })
-
-  let has_series = $derived(series_data.length > 0)
-  let is_strict_path_error = $derived(path_mode === `strict` && !!strict_path_error)
-
-  let imaginary_mode_region = $derived.by((): FillRegion[] => {
-    if (
-      detected_band_type !== `phonon` ||
-      !shade_imaginary_modes ||
-      !y_range ||
-      y_range[0] >= 0
-    ) return []
-    return [{
-      lower: y_range[0],
-      upper: 0,
-      fill: `var(--bands-imaginary-region-color, light-dark(#f8d7da, #5a1a1f))`,
-      fill_opacity: 0.2,
-      label: `Imaginary modes`,
-      show_in_legend: false,
-      z_index: `below-lines`,
-    }]
-  })
-
-  let custom_highlight_regions = $derived.by((): FillRegion[] =>
-    (highlight_regions ?? [])
-      .filter((region) =>
-        Number.isFinite(region.y_min) && Number.isFinite(region.y_max)
-      )
-      .map((region) => ({
-        lower: Math.min(region.y_min, region.y_max),
-        upper: Math.max(region.y_min, region.y_max),
-        fill: region.color ??
-          `var(--bands-highlight-region-color, light-dark(#f6e8c3, #4d3f20))`,
-        fill_opacity: region.opacity ?? 0.2,
-        label: region.label,
-        show_in_legend: Boolean(region.label),
-        z_index: `below-lines` as const,
-      }))
-  )
-
-  let fill_regions = $derived([
-    ...imaginary_mode_region,
-    ...custom_highlight_regions,
-  ])
-
-  let electronic_gap_annotation = $derived.by(() => {
-    if (
-      !show_gap_annotation ||
-      detected_band_type !== `electronic` ||
-      effective_fermi_level === undefined
-    ) return null
-    const all_energies = series_data.flatMap((series_item) =>
-      series_item.y.filter(Number.isFinite)
-    )
-    const occupied = all_energies.filter((energy) => energy <= effective_fermi_level)
-    const unoccupied = all_energies.filter((energy) => energy > effective_fermi_level)
-    if (!occupied.length || !unoccupied.length) return null
-    const vbm = Math.max(...occupied)
-    const cbm = Math.min(...unoccupied)
-    const gap = cbm - vbm
-    if (!(gap > 0)) return null
-    return { vbm, cbm, gap }
-  })
-
-  let empty_state_message = $derived.by(() => {
-    if (is_strict_path_error) {
-      return strict_path_error ?? `Path mismatch in strict mode.`
-    }
-    if (!band_structs || Object.keys(band_structs_dict).length === 0) {
-      return `No valid band structure data to display.`
-    }
-    if (!has_series) {
-      return `No plottable band segments were found in the provided data.`
-    }
-    return `No valid band structure data to display.`
-  })
-
-  let display = $state({ x_grid: false, y_grid: true, y_zero_line: true })
-</script>
-{#if has_series && !is_strict_path_error}
-  <ScatterPlot
-    {id}
-    class={class_name}
-    {style}
-    data-testid={data_testid}
-    series={series_data}
-    {fill_regions}
-    x_axis={{
-      label: `Wave Vector`,
-      ticks: Object.keys(x_axis_ticks).length > 0 ? x_axis_ticks : undefined,
-      format: ``,
-      range: x_range,
-      ...x_axis,
-    }}
-    bind:y_axis={internal_y_axis}
-    bind:display
-    legend={show_legend && Object.keys(band_structs_dict).length > 1 ? {} : null}
-    hover_config={{ threshold_px: 50 }}
-    controls={{ show: show_controls }}
-    {...rest}
-  >
-    {#snippet tooltip({ x, y, y_formatted, label, metadata })}
-      {@const y_label_full = internal_y_axis.label ?? ``}
-      {@const [, y_label, y_unit] = y_label_full.match(/^(.+?)\s*\(([^)]+)\)$/) ??
-      [, y_label_full, ``]}
-      {@const segment = Object.entries(x_positions ?? {}).find(([, [start, end]]) =>
-      x >= start && x <= end
-    )}
-      {@const path = segment?.[0].split(`_`).map((lbl) =>
-      lbl !== `null` ? helpers.pretty_sym_point(lbl) : ``
-    ).filter(Boolean).join(` → `) || null}
-      {@const {
-      band_idx,
-      spin,
-      is_acoustic,
-      nb_bands,
-      frac_coords,
-      qpoint_label,
-      band_width,
-      slope,
-    } = (metadata ?? {}) as Partial<helpers.BandPointMeta>}
-      {@const num_structs = Object.keys(band_structs_dict).length}
-      {#if num_structs > 1 && label}<strong>{label}</strong><br />{/if}
-      {@html sanitize_html(y_label || `Value`)}: {y_formatted}{y_unit ? ` ${y_unit}` : ``}<br />
-      {#if path}Path: {path}<br />{/if}
-      {#if typeof band_idx === `number`}
-        Band: {band_idx + 1}{#if typeof nb_bands === `number`}&thinsp;/&thinsp;{
-            nb_bands
-          }{/if}
-        {#if typeof is_acoustic === `boolean`}
-          ({is_acoustic ? `acoustic` : `optical`})
-        {:else if detected_band_type === `electronic` && effective_fermi_level !== undefined}
-          ({y <= effective_fermi_level ? `valence` : `conduction`})
-        {/if}
-        {#if spin === `up` || spin === `down`}
-          {spin === `up` ? `↑` : `↓`}
-        {/if}
-      {/if}
-      {#if typeof qpoint_label === `string` && qpoint_label}
-        <br />At: {helpers.pretty_sym_point(qpoint_label)}
-      {/if}
-      {#if Array.isArray(frac_coords)}
-        <br />{detected_band_type === `electronic` ? `k` : `q`}: [{
-          frac_coords.map((coord: number) => format_num(coord, `.3f`)).join(`, `)
-        }]
-      {/if}
-      {#if typeof band_width === `number` && band_width > 0}
-        <br />Projection: {format_num(band_width, `.3~g`)}
-      {/if}
-      {#if typeof slope === `number` && Number.isFinite(slope)}
-        {@const rel = Math.abs(slope) / max_abs_slope}
-        <br />Dispersion: {rel < 0.15 ? `flat` : rel < 0.5 ? `moderate` : `steep`}
-      {/if}
-    {/snippet}
-
-    {#snippet controls_extra()}
-      {#if show_path_mode_control}
-        <SettingsSection
-          title="Path Mode"
-          current_values={{ path_mode }}
-          on_reset={() => (path_mode = `strict`)}
-        >
-          <div class="pane-row">
-            <label for="bands-path-mode">Mode:</label>
-            <select id="bands-path-mode" bind:value={path_mode}>
-              <option value="strict">strict</option>
-              <option value="intersection">intersection</option>
-              <option value="union">union</option>
-            </select>
-          </div>
-        </SettingsSection>
-      {/if}
-
-      {#if show_units_control && detected_band_type === `phonon`}
-        <SettingsSection
-          title="Units"
-          current_values={{ units }}
-          on_reset={() => (units = `THz`)}
-        >
-          <div class="pane-row">
-            <label for="bands-units">Frequency:</label>
-            <select id="bands-units" bind:value={units}>
-              <option value="THz">THz</option>
-              <option value="eV">eV</option>
-              <option value="meV">meV</option>
-              <option value="cm-1">cm-1</option>
-              <option value="Ha">Ha</option>
-            </select>
-          </div>
-        </SettingsSection>
-      {/if}
-
-      {#if show_spin_control && detected_band_type === `electronic`}
-        <SettingsSection
-          title="Spin Display"
-          current_values={{ band_spin_mode }}
-          on_reset={() => (band_spin_mode = `overlay`)}
-        >
-          <div class="pane-row">
-            <label for="bands-spin-mode">Mode:</label>
-            <select id="bands-spin-mode" bind:value={band_spin_mode}>
-              <option value="overlay">overlay</option>
-              <option value="up_only">up only</option>
-              <option value="down_only">down only</option>
-            </select>
-          </div>
-        </SettingsSection>
-      {/if}
-
-      {#if show_annotation_controls && detected_band_type === `electronic`}
-        <SettingsSection
-          title="Annotations"
-          current_values={{ show_gap_annotation }}
-          on_reset={() => (show_gap_annotation = true)}
-        >
-          <div class="pane-row pane-checkbox">
-            <input
-              id="bands-gap-annotation"
-              type="checkbox"
-              bind:checked={show_gap_annotation}
-            />
-            <label for="bands-gap-annotation">Show band gap annotation</label>
-          </div>
-        </SettingsSection>
-      {/if}
-    {/snippet}
-
-    {#snippet user_content({ height, x_scale_fn, y_scale_fn, pad })}
-      <!-- Fat band ribbons (rendered behind band lines) -->
-      {#each ribbon_data as
-        ribbon
-        (`${ribbon.structure_label}-${ribbon.segment_key}-${ribbon.band_idx}`)
-      }
-        {@const path_d = helpers.generate_ribbon_path(
-      ribbon.x_values,
-      ribbon.y_values,
-      ribbon.width_values,
-      x_scale_fn,
-      y_scale_fn,
-      ribbon.max_width,
-      ribbon.scale,
-    )}
-        {#if path_d}
-          <path
-            d={path_d}
-            fill={ribbon.color}
-            opacity={ribbon.opacity}
-            stroke="none"
-            class="fat-band-ribbon"
-          />
-        {/if}
-      {/each}
-
-      <!-- Symmetry point vertical lines (filter NaN from scale) -->
-      {#each Object.keys(x_axis_ticks).map(Number).map((tick) => x_scale_fn(tick)).filter(
-      Number.isFinite,
-    ) as
-        scaled_x
-        (scaled_x)
-      }
-        <line
-          x1={scaled_x}
-          x2={scaled_x}
-          y1={pad.t}
-          y2={height - pad.b}
-          stroke="var(--bands-symmetry-line-color, light-dark(black, white))"
-          stroke-width="var(--bands-symmetry-line-width, 1)"
-          opacity="var(--bands-symmetry-line-opacity, 0.5)"
-        />
-      {/each}
-
-      <!-- Shared geometry for Fermi level and gap annotations -->
-      {@const fermi_y = effective_fermi_level !== undefined
-      ? y_scale_fn(effective_fermi_level)
-      : NaN}
-      {@const bands_x_end = x_scale_fn(Object.values(x_positions ?? {}).flat().at(-1) ?? 1)}
-      {@const gap_data = electronic_gap_annotation}
-      {@const vbm_y = gap_data ? y_scale_fn(gap_data.vbm) : NaN}
-      {@const cbm_y = gap_data ? y_scale_fn(gap_data.cbm) : NaN}
-      {@const gap_mid_y = (vbm_y + cbm_y) / 2}
-      {@const ef_needs_offset = Number.isFinite(gap_mid_y) &&
-      Math.abs(fermi_y - gap_mid_y) < 16}
-      {@const ef_label_y = ef_needs_offset
-      ? gap_mid_y + (fermi_y >= gap_mid_y ? 16 : -16)
-      : fermi_y}
-
-      <!-- Fermi level line for electronic bands -->
-      {#if Number.isFinite(fermi_y) && Number.isFinite(bands_x_end)}
-        <line
-          class="fermi-level-line"
-          x1={pad.l}
-          x2={bands_x_end}
-          y1={fermi_y}
-          y2={fermi_y}
-          stroke="var(--bands-fermi-line-color, light-dark(#e74c3c, #ff6b6b))"
-          stroke-width="var(--bands-fermi-line-width, 1.5)"
-          stroke-dasharray="var(--bands-fermi-line-dash, 6,3)"
-          opacity="var(--bands-fermi-line-opacity, 0.8)"
-        />
-        {#if ef_needs_offset}
-          <line
-            x1={bands_x_end}
-            y1={fermi_y}
-            x2={bands_x_end + 3}
-            y2={ef_label_y}
-            stroke="var(--bands-fermi-line-color, light-dark(#e74c3c, #ff6b6b))"
-            stroke-width="0.7"
-            opacity="0.5"
-          />
-        {/if}
-        <text
-          class="fermi-level-label"
-          x={bands_x_end + 4}
-          y={ef_label_y}
-          dy="0.35em"
-          font-size="10"
-          fill="var(--bands-fermi-line-color, light-dark(#e74c3c, #ff6b6b))"
-          opacity="0.9"
-        >
-          E<tspan dy="2" font-size="8">F</tspan>
-        </text>
-      {/if}
-
-      <!-- Reference frequency horizontal line -->
-      {@const ref_freq = reference_frequency != null
-      ? convert_band_values([reference_frequency])[0]
-      : NaN}
-      {@const ref_y = Number.isFinite(ref_freq) ? y_scale_fn(ref_freq) : NaN}
-      {#if Number.isFinite(ref_y) && Number.isFinite(bands_x_end)}
-        <line
-          x1={pad.l}
-          x2={bands_x_end}
-          y1={ref_y}
-          y2={ref_y}
-          stroke="var(--bands-reference-line-color, light-dark(#d48860, #c47850))"
-          stroke-width="var(--bands-reference-line-width, 1)"
-          stroke-dasharray="var(--bands-reference-line-dash, 4,3)"
-          opacity="var(--bands-reference-line-opacity, 0.5)"
-        />
-      {/if}
-
-      <!-- Electronic band edge and gap annotation -->
-      {#if gap_data && Number.isFinite(vbm_y) && Number.isFinite(cbm_y) &&
-      Number.isFinite(bands_x_end)}
-        {#each [
-      [vbm_y, `var(--bands-gap-vbm-color, light-dark(#1f77b4, #7db7ff))`],
-      [cbm_y, `var(--bands-gap-cbm-color, light-dark(#2ca02c, #7ddc7d))`],
-    ] as [number, string][] as
-          [edge_y, color]
-          (edge_y)
-        }
-          <line
-            x1={pad.l}
-            x2={bands_x_end + 3}
-            y1={edge_y}
-            y2={edge_y}
-            stroke={color}
-            stroke-width="var(--bands-gap-line-width, 1)"
-            stroke-dasharray="var(--bands-gap-line-dash, 2,2)"
-            opacity="0.7"
-          />
-        {/each}
-        <text
-          x={bands_x_end + 4}
-          y={gap_mid_y}
-          dy="0.35em"
-          font-size="10"
-          fill="var(--text-color)"
-        >
-          E<tspan dy="2" font-size="8">g:</tspan>
-          <tspan dy="-2">{Number(gap_data.gap.toPrecision(4))} eV</tspan>
-        </text>
-      {/if}
-    {/snippet}
-  </ScatterPlot>
-{:else}
-  <EmptyState
-    {id}
-    class={class_name}
-    {style}
-    data-testid={data_testid}
-    {...empty_state_attrs}
-    message={empty_state_message}
-  />
-{/if}
-
-<style>
-  .pane-row {
-    display: flex;
-    align-items: center;
-    gap: 0.5em;
-    margin: 0.3em 0;
-    font-size: 0.9em;
-  }
-  .pane-row label {
-    min-width: 4.5em;
-    flex-shrink: 0;
-  }
-  .pane-row select {
-    flex: 1;
-    min-width: 0;
-  }
-  .pane-checkbox {
-    gap: 0.4em;
-  }
-  .pane-checkbox label {
-    min-width: 0;
-  }
-</style>