matterviz 0.3.5 → 0.3.6

package/dist/structure/Structure.svelte

@@ -1,1999 +0,0 @@
-<script lang="ts">
-  import type { ColorSchemeName } from '../colors'
-  import { ELEMENT_COLOR_SCHEMES } from '../colors'
-  import type { ShowControlsProp } from '../controls'
-  import { normalize_show_controls } from '../controls'
-  import type { ElementSymbol } from '../element'
-  import { StatusMessage } from '../feedback'
-  import Spinner from '../feedback/Spinner.svelte'
-  import Icon from '../Icon.svelte'
-  import { create_file_drop_handler, load_from_url } from '../io'
-  import { parse_volumetric_file } from '../isosurface/parse'
-  import type { IsosurfaceSettings, VolumetricData } from '../isosurface/types'
-  import {
-    auto_isosurface_settings,
-    DEFAULT_ISOSURFACE_SETTINGS,
-    tile_volumetric_data,
-  } from '../isosurface/types'
-  import { ELEM_SYMBOLS } from '../labels'
-  import { set_fullscreen_bg, toggle_fullscreen } from '../layout'
-  import type { Vec3 } from '../math'
-  import { create_cart_to_frac, create_frac_to_cart } from '../math'
-  import { DEFAULTS } from '../settings'
-  import { sanitize_html } from '../sanitize'
-  import { colors } from '../state.svelte'
-  import type {
-    AnyStructure,
-    Crystal,
-    MeasureMode,
-    StructureBond,
-  } from './'
-  import {
-    default_vector_configs,
-    get_element_counts,
-    get_pbc_image_sites,
-    get_structure_vector_keys,
-  } from './'
-  import { wrap_to_unit_cell } from './pbc'
-  import {
-    is_valid_supercell_input,
-    make_supercell,
-    parse_supercell_scaling,
-  } from './supercell'
-  import type { CellType, SymmetrySettings } from '../symmetry'
-  import * as symmetry from '../symmetry'
-  import { transform_cell } from '../symmetry'
-  import type { MoyoDataset } from '@spglib/moyo-wasm'
-  import { Canvas } from '@threlte/core'
-  import type { ComponentProps, Snippet } from 'svelte'
-  import { untrack } from 'svelte'
-  import { click_outside, tooltip } from 'svelte-multiselect/attachments'
-  import type { HTMLAttributes } from 'svelte/elements'
-  import { SvelteMap, SvelteSet } from 'svelte/reactivity'
-  import type { Camera, OrthographicCamera, Scene } from 'three'
-  import type { AtomColorConfig } from './atom-properties'
-  import { get_property_colors } from './atom-properties'
-  import AtomLegend from './AtomLegend.svelte'
-  import CellSelect from './CellSelect.svelte'
-  import { merge_bond_edits } from './bonding'
-  import type { StructureHandlerData } from './index'
-  import { MAX_SELECTED_SITES } from './measure'
-  import { normalize_fractional_coords, parse_any_structure } from './parse'
-  import StructureControls from './StructureControls.svelte'
-  import StructureExportPane from './StructureExportPane.svelte'
-  import StructureInfoPane from './StructureInfoPane.svelte'
-  import StructureScene from './StructureScene.svelte'
-
-  // Type alias for event handlers to reduce verbosity
-  type EventHandler = (data: StructureHandlerData) => void
-  type BondEditContext = {
-    structure?: AnyStructure
-    cell_type: CellType
-    supercell_scaling: string
-    show_image_atoms: boolean
-  }
-  type BondEditSnapshot = {
-    bonds: StructureBond[] | undefined
-    context: BondEditContext
-  }
-
-  // Local reactive state for scene and lattice props. Deeply reactive so nested mutations propagate.
-  // Deep-clone to prevent mutations from leaking to global defaults across component instances.
-  let scene_props = $state(
-    structuredClone(DEFAULTS.structure) as typeof DEFAULTS.structure & {
-      active_sites?: number[]
-      camera_target?: Vec3
-    },
-  )
-  let lattice_props = $state({
-    cell_edge_opacity: DEFAULTS.structure.cell_edge_opacity,
-    cell_surface_opacity: DEFAULTS.structure.cell_surface_opacity,
-    cell_edge_color: DEFAULTS.structure.cell_edge_color,
-    cell_surface_color: DEFAULTS.structure.cell_surface_color,
-    cell_edge_width: DEFAULTS.structure.cell_edge_width,
-    show_cell_vectors: DEFAULTS.structure.show_cell_vectors,
-  })
-
-  let {
-    structure = $bindable(),
-    bonds = $bindable(),
-    scene_props: scene_props_in = $bindable(),
-    lattice_props: lattice_props_in = $bindable(),
-    controls_open = $bindable(false),
-    info_pane_open = $bindable(false),
-    enable_measure_mode = $bindable(true),
-    measure_mode = $bindable<MeasureMode>(`distance`),
-    background_color = $bindable(),
-    background_opacity = $bindable(0.1),
-    show_controls,
-    fullscreen = $bindable(false),
-    wrapper = $bindable(),
-    width = $bindable(0),
-    height = $bindable(0),
-    reset_text = `Reset camera (or double-click)`,
-    color_scheme = $bindable(`Vesta`),
-    atom_color_config = $bindable({
-      mode: DEFAULTS.structure.atom_color_mode,
-      scale: DEFAULTS.structure.atom_color_scale,
-      scale_type: DEFAULTS.structure.atom_color_scale_type,
-    }),
-    hovered = $bindable(false),
-    dragover = $bindable(false),
-    allow_file_drop = true,
-    enable_info_pane = true,
-    png_dpi = $bindable(150),
-    show_image_atoms = $bindable(true),
-    supercell_scaling = $bindable(`1x1x1`),
-    fullscreen_toggle = DEFAULTS.structure.fullscreen_toggle,
-    bottom_left,
-    data_url,
-    structure_string,
-    on_file_drop,
-    spinner_props = {},
-    loading = $bindable(false),
-    error_msg = $bindable(),
-    performance_mode = $bindable(`quality`),
-    // expose selected site indices for external control/highlighting
-    selected_sites = $bindable([]),
-    highlighted_sites = $bindable([]),
-    hovered_site_idx = $bindable(null),
-    // expose measured site indices for overlays/labels
-    measured_sites = $bindable([]),
-    // expose the displayed structure (with image atoms and supercell) for external use
-    displayed_structure = $bindable(),
-    // Track hidden elements across component lifecycle
-    hidden_elements = $bindable(new SvelteSet<ElementSymbol>()),
-    // Track hidden property values (e.g. Wyckoff positions, coordination numbers)
-    hidden_prop_vals = $bindable(new SvelteSet<number | string>()),
-    // Per-element radius overrides (absolute values in Angstroms)
-    element_radius_overrides = $bindable<Partial<Record<ElementSymbol, number>>>({}),
-    // Per-site radius overrides (absolute values in Angstroms)
-    site_radius_overrides = $bindable<SvelteMap<number, number>>(new SvelteMap()),
-    // Symmetry analysis data (bindable for external access)
-    sym_data = $bindable(null),
-    // Symmetry analysis settings (bindable for external control)
-    symmetry_settings = $bindable(symmetry.default_sym_settings),
-    // Map element symbols to different elements (e.g. {'H': 'Na', 'He': 'Cl'})
-    // Useful for LAMMPS files where atom types are mapped to H, He, Li by default
-    element_mapping = $bindable(),
-    // Cell type: original, conventional, or primitive (requires symmetry analysis)
-    cell_type = $bindable(`original`),
-    // Volumetric data for isosurface rendering (parsed from CHGCAR or .cube files)
-    volumetric_data = $bindable<VolumetricData[]>(),
-    // Isosurface rendering settings
-    isosurface_settings = $bindable<IsosurfaceSettings>({
-      ...DEFAULT_ISOSURFACE_SETTINGS,
-    }),
-    // Active volume index when multiple volumes are present
-    active_volume_idx = $bindable(0),
-    children,
-    top_right_controls,
-    on_file_load,
-    on_error,
-    on_fullscreen_change,
-    on_camera_move,
-    on_camera_reset,
-    on_bonds_change,
-    ...rest
-  }:
-    & {
-      structure?: AnyStructure
-      bonds?: StructureBond[]
-      scene_props?: ComponentProps<typeof StructureScene>
-      /**
-       * Controls visibility configuration.
-       * - 'always': controls always visible
-       * - 'hover': controls visible on component hover (default)
-       * - 'never': controls never visible
-       * - object: { mode, hidden, style } for fine-grained control
-       *
-       * Control names: 'reset-camera', 'fullscreen', 'measure-mode', 'info-pane', 'export-pane', 'controls'
-       */
-      show_controls?: ShowControlsProp
-      fullscreen?: boolean
-      // bindable width of the canvas
-      width?: number
-      // bindable height of the canvas
-      height?: number
-      // Canvas wrapper element (for export pane)
-      wrapper?: HTMLDivElement
-      // PNG export DPI setting
-      png_dpi?: number
-      reset_text?: string
-      hovered?: boolean
-      dragover?: boolean
-      allow_file_drop?: boolean
-      enable_info_pane?: boolean
-      enable_measure_mode?: boolean
-      measure_mode?: MeasureMode
-      info_pane_open?: boolean
-      fullscreen_toggle?: Snippet<[{ fullscreen: boolean }]> | boolean
-      bottom_left?: Snippet<[{ structure?: AnyStructure }]>
-      top_right_controls?: Snippet // Additional controls to render at the end of the control buttons row
-      data_url?: string // URL to load structure from (alternative to providing structure directly)
-      // Generic callback for when files are dropped - receives raw content and filename
-      on_file_drop?: (content: string | ArrayBuffer, filename: string) => void
-      // spinner props (passed to Spinner component)
-      spinner_props?: ComponentProps<typeof Spinner>
-      loading?: boolean
-      error_msg?: string
-      // Performance mode: 'quality' (default) or 'speed' for large structures
-      performance_mode?: `quality` | `speed`
-      // allow parent components to control highlighted/selected site indices
-      selected_sites?: number[]
-      highlighted_sites?: number[]
-      hovered_site_idx?: number | null
-      // explicit measured sites for distance/angle overlays
-      measured_sites?: number[]
-      // expose the displayed structure (with image atoms and/or supercell) for external use
-      displayed_structure?: AnyStructure
-      // Track which elements are hidden (bindable across frames in trajectories)
-      hidden_elements?: Set<ElementSymbol>
-      // Track which property values are hidden (e.g. Wyckoff positions, coordination numbers)
-      hidden_prop_vals?: Set<number | string>
-      // Per-element radius overrides (absolute values in Angstroms)
-      element_radius_overrides?: Partial<Record<ElementSymbol, number>>
-      // Per-site radius overrides (absolute values in Angstroms)
-      // Accepts Map or SvelteMap for flexibility with external callers
-      site_radius_overrides?: Map<number, number> | SvelteMap<number, number>
-      // Symmetry analysis data (bindable for external access)
-      sym_data?: MoyoDataset | null
-      // Symmetry analysis settings (bindable for external control)
-      symmetry_settings?: Partial<SymmetrySettings>
-      // Map element symbols to different elements (e.g. {'H': 'Na', 'He': 'Cl'})
-      element_mapping?: Partial<Record<ElementSymbol, ElementSymbol>>
-      // Cell type: original, conventional, or primitive (requires symmetry analysis)
-      cell_type?: CellType
-      // Volumetric data for isosurface rendering (parsed from CHGCAR or .cube files)
-      volumetric_data?: VolumetricData[]
-      // Isosurface rendering settings
-      isosurface_settings?: IsosurfaceSettings
-      // Active volume index when multiple volumes are present
-      active_volume_idx?: number
-      // structure content as string (alternative to providing structure directly or via data_url)
-      structure_string?: string
-      // Atom coloring configuration
-      atom_color_config?: Partial<AtomColorConfig>
-      children?: Snippet<[{ structure?: AnyStructure; fullscreen: boolean }]>
-      on_file_load?: EventHandler
-      on_error?: EventHandler
-      on_fullscreen_change?: EventHandler
-      on_camera_move?: EventHandler
-      on_camera_reset?: EventHandler
-      on_bonds_change?: (bonds: StructureBond[] | undefined) => void
-    }
-    & Omit<ComponentProps<typeof StructureControls>, `children` | `onclose`>
-    & Omit<HTMLAttributes<HTMLDivElement>, `children`> = $props()
-
-  // Initialize models from incoming props; mutations come from UI controls; we mirror into local dicts (NOTE only doing shallow merge)
-  $effect.pre(() => {
-    if (scene_props_in && typeof scene_props_in === `object`) {
-      Object.assign(scene_props, scene_props_in)
-    }
-    if (lattice_props_in && typeof lattice_props_in === `object`) {
-      Object.assign(lattice_props, lattice_props_in)
-    }
-  })
-
-  // Load structure from URL when data_url is provided
-  $effect(() => {
-    if (data_url && !structure) {
-      loading = true
-      error_msg = undefined
-
-      load_from_url(data_url, (content, filename) => {
-        if (on_file_drop) on_file_drop(content, filename)
-        else {
-          // Parse structure internally when no handler provided
-          try {
-            const text_content = content instanceof ArrayBuffer
-              ? new TextDecoder().decode(content)
-              : content
-            const parsed = parse_file_content(text_content, filename)
-            emit_file_load_event(parsed, filename, content)
-          } catch (error) {
-            error_msg = `Failed to parse structure: ${
-              error instanceof Error ? error.message : String(error)
-            }`
-            on_error?.({ error_msg, filename })
-          }
-        }
-      })
-        .then(() => loading = false)
-        .catch((error: Error) => {
-          console.error(`Failed to load structure from URL:`, error)
-          error_msg = `Failed to load structure: ${error.message}`
-          loading = false
-          on_error?.({ error_msg, filename: data_url })
-        })
-    }
-  })
-
-  $effect(() => { // Parse structure from string when structure_string is provided
-    if (!structure_string || data_url) return
-    loading = true
-    error_msg = undefined
-    clear_camera_state()
-    try {
-      const parsed = parse_any_structure(structure_string, `string`)
-      if (parsed) {
-        structure = parsed
-        untrack(() => emit_file_load_event(parsed, `string`, structure_string))
-      } else {
-        throw new Error(`Failed to parse structure from string`)
-      }
-    } catch (err) {
-      error_msg = `Failed to parse structure from string: ${
-        err instanceof Error ? err.message : String(err)
-      }`
-      untrack(() => on_error?.({ error_msg, filename: `string` }))
-    } finally {
-      loading = false
-    }
-  })
-
-  // Auto-populate vector_configs when structure has vector data (force, magmom, spin, etc.)
-  // Skip if configs were externally provided. Clear auto-generated configs on structure change.
-  let vectors_auto_populated_for: AnyStructure | undefined = undefined
-  let last_auto_configs: Record<string, unknown> | undefined = undefined
-
-  $effect(() => {
-    if (!structure?.sites || structure === vectors_auto_populated_for) return
-    const keys = get_structure_vector_keys(structure)
-    // Clear auto-generated configs from previous structure; preserve externally-modified ones
-    const existing = scene_props.vector_configs
-    if (last_auto_configs && existing === last_auto_configs) {
-      scene_props.vector_configs = {}
-      last_auto_configs = undefined
-    } else if (existing && Object.keys(existing).length > 0) {
-      vectors_auto_populated_for = structure
-      return
-    }
-    vectors_auto_populated_for = structure
-    if (keys.length === 0) return
-    const configs = default_vector_configs(keys)
-    scene_props.vector_configs = configs
-    // Read back the proxied reference — Svelte 5 $state wraps objects in
-    // proxies, so `scene_props.vector_configs !== configs`. Storing the proxy
-    // lets the identity check above detect unmodified auto-configs.
-    // See https://svelte.dev/e/state_proxy_equality_mismatch
-    last_auto_configs = scene_props.vector_configs
-    scene_props.vector_scale ??= DEFAULTS.structure.vector_scale
-    scene_props.vector_color ??= DEFAULTS.structure.vector_color
-  })
-
-  // Optimize scene props for performance based on structure size and mode
-  $effect(() => {
-    if (structure?.sites && performance_mode === `speed`) {
-      const site_count = structure.sites.length
-      const current_sphere_segments = scene_props.sphere_segments || 20
-
-      // Reduce sphere segments for large structures in speed mode
-      if (site_count > 200) {
-        scene_props.sphere_segments = Math.min(current_sphere_segments, 12)
-      }
-    }
-  })
-
-  $effect(() => {
-    colors.element = ELEMENT_COLOR_SCHEMES[color_scheme as ColorSchemeName]
-  })
-
-  // Compute property-based colors for legend display
-  let property_colors = $derived(
-    get_property_colors(
-      structure,
-      atom_color_config,
-      scene_props.bonding_strategy,
-      sym_data,
-    ),
-  )
-
-  let symmetry_run_id = 0
-  let symmetry_error = $state<string>()
-  let last_symmetry_structure_ref: AnyStructure | null = null
-
-  // Trigger symmetry analysis when structure is loaded or settings change.
-  // Skip during atom drags — symmetry doesn't change from moving atoms,
-  // and WASM analysis on every drag frame causes severe frame drops.
-  $effect(() => {
-    if (dragging_atoms) return
-    if (!structure || !(`lattice` in structure)) {
-      untrack(() => {
-        sym_data = null
-        symmetry_error = undefined
-      })
-      last_symmetry_structure_ref = null
-      return
-    }
-
-    const current_structure = structure
-    const structure_changed = current_structure !== last_symmetry_structure_ref
-    if (structure_changed) {
-      untrack(() => {
-        sym_data = null
-        symmetry_error = undefined
-      })
-      last_symmetry_structure_ref = current_structure
-    } else {
-      // Keep previous symmetry data while recomputing so bound consumers
-      // (e.g. SymmetryStats inputs) do not unmount and lose focus.
-      untrack(() => symmetry_error = undefined)
-    }
-    const run_id = ++symmetry_run_id
-    // Destructure symmetry_settings to ensure Svelte tracks changes to symprec and algo
-    // (reading just the object reference isn't sufficient for fine-grained reactivity)
-    const { symprec, algo } = symmetry_settings ?? symmetry.default_sym_settings
-    const current_settings = { symprec, algo }
-    // Skip symmetry auto-analysis in unit tests; happy-dom can't fetch WASM assets
-    if (typeof process !== `undefined` && process.env?.VITEST) return
-
-    symmetry.ensure_moyo_wasm_ready()
-      .then(() =>
-        run_id === symmetry_run_id
-          ? symmetry.analyze_structure_symmetry(current_structure, current_settings)
-          : null
-      )
-      .then((data) => {
-        if (data && run_id === symmetry_run_id) {
-          untrack(() => sym_data = data)
-        }
-      })
-      .catch((err) => {
-        if (run_id === symmetry_run_id) {
-          untrack(() => sym_data = null)
-          symmetry_error = `Symmetry analysis failed: ${err?.message || err}`
-          console.error(`Symmetry analysis failed:`, err)
-        }
-      })
-  })
-
-  let measure_menu_open = $state(false)
-  let export_pane_open = $state(false)
-
-  // Bond customization state
-  let added_bonds = $state<StructureBond[]>([])
-  let removed_bonds = $state<StructureBond[]>([])
-  let bond_order_overrides = $state<StructureBond[]>([])
-  let last_emitted_bond_signature = $state<string>()
-  let bond_edit_snapshot = $state<BondEditSnapshot>()
-  let has_bond_edits = $derived(
-    added_bonds.length > 0 || removed_bonds.length > 0 ||
-      bond_order_overrides.length > 0,
-  )
-
-  function clear_bond_edits() {
-    added_bonds = []
-    removed_bonds = []
-    bond_order_overrides = []
-  }
-
-  function emit_bonds(next_bonds: StructureBond[] | undefined) {
-    const signature = next_bonds === undefined ? `undefined` : JSON.stringify(next_bonds)
-    if (signature === last_emitted_bond_signature) return
-    last_emitted_bond_signature = signature
-    bonds = next_bonds
-    on_bonds_change?.(next_bonds)
-  }
-
-  const current_source_bonds = (): StructureBond[] | undefined =>
-    bonds ?? structure?.properties?.bonds
-
-  const current_bond_edit_context = (): BondEditContext => ({
-    structure,
-    cell_type,
-    supercell_scaling,
-    show_image_atoms,
-  })
-
-  const bond_edit_context_changed = (
-    previous: BondEditContext,
-    current: BondEditContext,
-  ): boolean =>
-    previous.structure !== current.structure ||
-    previous.cell_type !== current.cell_type ||
-    previous.supercell_scaling !== current.supercell_scaling ||
-    previous.show_image_atoms !== current.show_image_atoms
-
-  const resolve_bond_edit_reset_bonds = (
-    snapshot: BondEditSnapshot,
-  ): StructureBond[] | undefined =>
-    snapshot.context.structure === structure ? snapshot.bonds : structure?.properties?.bonds
-
-  $effect(() => {
-    const snapshot = bond_edit_snapshot
-    if (snapshot === undefined) return
-    const context = current_bond_edit_context()
-    if (!bond_edit_context_changed(snapshot.context, context)) return
-    untrack(() => {
-      emit_bonds(resolve_bond_edit_reset_bonds(snapshot))
-      clear_bond_edits()
-      bond_edit_snapshot = undefined
-    })
-  })
-
-  $effect(() => {
-    if (!has_bond_edits) {
-      if (bond_edit_snapshot === undefined) return
-      emit_bonds(resolve_bond_edit_reset_bonds(bond_edit_snapshot))
-      bond_edit_snapshot = undefined
-      return
-    }
-    bond_edit_snapshot ??= {
-      bonds: current_source_bonds(),
-      context: current_bond_edit_context(),
-    }
-    const edited_bonds = merge_bond_edits(
-      bond_edit_snapshot.bonds ?? [],
-      added_bonds,
-      removed_bonds,
-      bond_order_overrides,
-    )
-    emit_bonds(edited_bonds)
-  })
-
-  // === Edit-atoms mode state ===
-  let dragging_atoms = $state(false)
-  let undo_stack = $state<AnyStructure[]>([])
-  let redo_stack = $state<AnyStructure[]>([])
-  const MAX_HISTORY = 20
-  // Flag set before internal edits (undo/redo/delete/add/move) to distinguish
-  // them from external structure changes (file load, trajectory step, etc.)
-  let is_internal_edit = false
-  // Add-atom sub-mode state (bound to StructureScene)
-  let add_atom_mode = $state(false)
-  let add_element = $state<ElementSymbol>(`C` as ElementSymbol)
-  let canvas_cursor = $state(`default`)
-  let change_element_mode = $state(false)
-  let change_element_value = $state(``)
-  // Ephemeral toast message for edit operations
-  let toast_msg = $state<string | null>(null)
-  let toast_timer: ReturnType<typeof setTimeout> | undefined
-  function show_toast(msg: string, duration_ms = 2000) {
-    clearTimeout(toast_timer)
-    toast_msg = msg
-    toast_timer = setTimeout(() => (toast_msg = null), duration_ms)
-  }
-
-  // Normalize and validate element symbol (e.g. "fe" → "Fe", "Xx" → null)
-  function normalize_element(input: string): ElementSymbol | null {
-    const normalized = (input.charAt(0).toUpperCase() +
-      input.slice(1).toLowerCase()) as ElementSymbol
-    return ELEM_SYMBOLS.includes(normalized) ? normalized : null
-  }
-
-  function clear_selection() {
-    selected_sites = []
-    measured_sites = []
-    dragging_atoms = false
-  }
-
-  function push_undo() {
-    if (!structure) return
-    if (undo_stack.length >= MAX_HISTORY) {
-      undo_stack.splice(0, undo_stack.length - MAX_HISTORY + 1)
-    }
-    undo_stack.push($state.snapshot(structure) as AnyStructure)
-    redo_stack.length = 0
-  }
-
-  // Shared undo/redo: pop from `source`, push current state onto `target`
-  function apply_history(source: AnyStructure[], target: AnyStructure[]) {
-    if (source.length === 0 || !structure) return
-    const restored = source.pop()
-    if (!restored) return
-    is_internal_edit = true
-    target.push($state.snapshot(structure) as AnyStructure)
-    structure = restored
-    clear_selection()
-  }
-
-  const undo = () => apply_history(undo_stack, redo_stack)
-  const redo = () => apply_history(redo_stack, undo_stack)
-
-  // Clear undo/redo stacks when structure changes externally (file load, etc.)
-  // Internal edits set is_internal_edit=true before modifying structure.
-  // This $effect runs after microtask, so the flag is still set from the edit.
-  $effect(() => {
-    // Track structure to re-run when it changes
-    void structure
-    if (is_internal_edit) {
-      is_internal_edit = false
-      return
-    }
-    // External change — clear history and stale edit-atoms state
-    untrack(() => {
-      if (undo_stack.length > 0 || redo_stack.length > 0) {
-        undo_stack = []
-        redo_stack = []
-      }
-      if (measure_mode === `edit-atoms`) {
-        if (selected_sites.length > 0 || measured_sites.length > 0) clear_selection()
-        if (site_radius_overrides?.size > 0) site_radius_overrides.clear()
-      }
-    })
-  })
-
-  // Clear selection when switching measure/edit mode so stale state doesn't carry over
-  let mode_first_run = true
-  $effect(() => {
-    void measure_mode // track reactively
-    if (mode_first_run) {
-      mode_first_run = false
-      return
-    }
-    untrack(() => {
-      if (selected_sites.length > 0 || measured_sites.length > 0) clear_selection()
-    })
-  })
-
-  // Auto-bake cell type transform and clear stale state when entering edit-atoms mode
-  $effect(() => {
-    if (measure_mode !== `edit-atoms`) return
-    untrack(() => {
-      // Clear bond edits from edit-bonds mode to avoid stale state
-      if (has_bond_edits) clear_bond_edits()
-      if (cell_type !== `original` && cell_transformed_structure && structure) {
-        // Bake the transformed cell: push original to undo, replace structure
-        is_internal_edit = true
-        push_undo()
-        structure = $state.snapshot(cell_transformed_structure) as AnyStructure
-        cell_type = `original`
-      }
-    })
-  })
-
-  let controls_config = $derived(normalize_show_controls(show_controls))
-  let active_scene_sites = $derived([
-    ...new SvelteSet([...(scene_props.active_sites ?? []), ...highlighted_sites]),
-  ])
-
-  // Normalize structure coordinates: wrap fractional coords to [0,1) and recompute Cartesian
-  // This ensures atoms are rendered inside the unit cell regardless of data source
-  let normalized_structure = $derived.by(() => {
-    if (!structure || !(`lattice` in structure)) return structure
-    return normalize_fractional_coords(structure) as AnyStructure
-  })
-
-  let structure_with_bonds = $derived.by(() => {
-    if (!normalized_structure || bonds === undefined) return normalized_structure
-    return {
-      ...normalized_structure,
-      properties: { ...normalized_structure.properties, bonds },
-    } as AnyStructure
-  })
-
-  // Apply cell type transformation (original, conventional, or primitive)
-  // This must happen BEFORE supercell transformation
-  let cell_transformed_structure = $derived.by(() => {
-    if (
-      !structure_with_bonds || !(`lattice` in structure_with_bonds) ||
-      cell_type === `original`
-    ) {
-      return structure_with_bonds
-    }
-    // Cell type transformation requires symmetry data
-    if (!sym_data) {
-      return structure_with_bonds
-    }
-    try {
-      return transform_cell(structure_with_bonds as Crystal, cell_type, sym_data)
-    } catch (error) {
-      console.error(`Failed to transform cell to ${cell_type}:`, error)
-      return structure_with_bonds
-    }
-  })
-
-  // Create supercell if needed (uses cell_transformed_structure as base)
-  let supercell_structure = $state(structure)
-  let supercell_loading = $state(false)
-  let has_supercell = $derived(
-    !!supercell_scaling && ![``, `1x1x1`, `1`].includes(supercell_scaling),
-  )
-  let bond_edits_enabled = $derived(
-    cell_type === `original` && !has_supercell && !supercell_loading,
-  )
-
-  $effect(() => {
-    if (measure_mode !== `edit-bonds` || bond_edits_enabled) return
-    untrack(() => {
-      clear_selection()
-      clear_bond_edits()
-      measure_mode = `distance`
-      show_toast(`Bond editing is only available for the original 1x1x1 cell`)
-    })
-  })
-
-  // Tile volumetric data to match supercell when active.
-  // Gate on !supercell_loading so the tiled volume and supercell structure update
-  // in the same frame (large supercells defer structure via setTimeout).
-  let supercell_volume = $derived.by(() => {
-    const vol = volumetric_data?.[active_volume_idx]
-    if (!vol || !has_supercell || supercell_loading) return vol
-    try {
-      return tile_volumetric_data(vol, parse_supercell_scaling(supercell_scaling))
-    } catch {
-      return vol
-    }
-  })
-
-  let supercell_timeout: ReturnType<typeof setTimeout> | undefined
-  $effect(() => {
-    const base_structure = cell_transformed_structure
-    clearTimeout(supercell_timeout)
-    if (!base_structure || !(`lattice` in base_structure) || !has_supercell) {
-      supercell_structure = base_structure
-      supercell_loading = false
-    } else if (!is_valid_supercell_input(supercell_scaling)) {
-      supercell_structure = base_structure
-      supercell_loading = false
-    } else {
-      // For large supercells, show loading state and use async generation
-      const sites_count = base_structure.sites?.length || 0
-      const [nx_str, ny_str, nz_str] = supercell_scaling.split(/[x×]/)
-      const scaling_mult = (parseInt(nx_str) || 1) * (parseInt(ny_str) || 1) *
-        (parseInt(nz_str) || 1)
-      const estimated_sites = sites_count * scaling_mult
-
-      // Show spinner for supercells with >1000 estimated sites or scaling >8
-      const show_loading = estimated_sites > 1000 || scaling_mult > 8
-
-      if (show_loading) {
-        supercell_loading = true
-        // Use setTimeout to allow UI to update before heavy computation
-        supercell_timeout = setTimeout(() => {
-          try {
-            if (base_structure && `lattice` in base_structure) {
-              supercell_structure = make_supercell(
-                base_structure as Crystal,
-                supercell_scaling,
-              )
-            }
-          } catch (error) {
-            console.error(`Failed to create supercell:`, error)
-            supercell_structure = base_structure
-          } finally {
-            supercell_loading = false
-          }
-        }, 10)
-      } else {
-        if (base_structure && `lattice` in base_structure) {
-          supercell_structure = make_supercell(
-            base_structure as Crystal,
-            supercell_scaling,
-          )
-        }
-        supercell_loading = false
-      }
-    }
-  })
-
-  // Clear selections, site overrides, and stale camera target when transformations
-  // change site indices (skip first run to preserve parent-provided selections)
-  let first_run = true
-  $effect(() => {
-    void [supercell_scaling, show_image_atoms, structure, cell_type] // track reactively
-    if (first_run) {
-      first_run = false
-      return
-    }
-    untrack(() => {
-      // In edit-atoms mode, structure changes are intentional user edits
-      // (move/add/delete) — preserve the selection so TransformControls stays active
-      if (measure_mode === `edit-atoms`) return
-      if (selected_sites.length > 0 || measured_sites.length > 0) clear_selection()
-      // Clear site radius overrides since site indices are no longer valid
-      if (site_radius_overrides?.size > 0) site_radius_overrides.clear()
-      // Clear stale camera target so orbit controls re-center on the new cell
-      scene_props.camera_target = undefined
-    })
-  })
-
-  // Apply element mapping then image atoms to the supercell structure.
-  // Skip get_pbc_image_sites during atom drags — the vector math + doubled site
-  // count causes frame drops. Image atoms reappear instantly on drag release.
-  $effect(() => {
-    let struct = supercell_structure
-    if (struct && element_mapping && Object.keys(element_mapping).length > 0) {
-      const mapping = element_mapping // capture for TypeScript narrowing
-      struct = {
-        ...struct,
-        sites: struct.sites.map((site) => ({
-          ...site,
-          species: site.species.map((sp) => ({
-            ...sp,
-            element: mapping[sp.element as ElementSymbol] ?? sp.element,
-          })),
-          label: mapping[site.label as ElementSymbol] ?? site.label,
-        })),
-      }
-    }
-    displayed_structure =
-      !dragging_atoms && show_image_atoms && struct && `lattice` in struct &&
-        struct.lattice
-        ? get_pbc_image_sites(struct)
-        : struct
-  })
-
-  // Track if camera has ever been moved from initial position
-  let camera_has_moved = $state(false)
-  let camera_is_moving = $state(false)
-  let scene = $state<Scene | undefined>(undefined)
-  let camera = $state<Camera | undefined>(undefined)
-  let orbit_controls = $state<
-    ComponentProps<typeof StructureScene>[`orbit_controls`]
-  >(undefined)
-  let rotation_target_ref = $state<Vec3 | undefined>(undefined)
-  let initial_computed_zoom = $state<number | undefined>(undefined)
-
-  // Mutual exclusion: opening one pane closes others
-  $effect(() => {
-    if (info_pane_open) {
-      untrack(() => [controls_open, export_pane_open] = [false, false])
-    }
-  })
-  $effect(() => {
-    if (controls_open) {
-      untrack(() => [info_pane_open, export_pane_open] = [false, false])
-    }
-  })
-  $effect(() => {
-    if (export_pane_open) {
-      untrack(() => [info_pane_open, controls_open] = [false, false])
-    }
-  })
-
-  // Reset tracking when structure changes
-  $effect(() => {
-    if (structure) camera_has_moved = false
-  })
-
-  // Clear stale camera target and position so StructureScene uses the new
-  // structure's rotation_target (unit cell center) and auto-positions the camera.
-  function clear_camera_state() {
-    scene_props.camera_target = undefined
-    scene_props.camera_position = [0, 0, 0]
-  }
-
-  const read_orbit_target = (): Vec3 | undefined => {
-    if (!orbit_controls?.target) return
-    const { x, y, z } = orbit_controls.target
-    return [x, y, z]
-  }
-
-  const read_camera_position = (): Vec3 | undefined =>
-    camera
-      ? [camera.position.x, camera.position.y, camera.position.z]
-      : scene_props.camera_position
-
-  // Emit debounced camera updates while controls are active.
-  $effect(() => {
-    if (!camera_is_moving) return
-    camera_has_moved = true
-
-    const emit_camera_move = () => {
-      const camera_position = read_camera_position()
-      if (camera_position === undefined) return
-      const camera_target = read_orbit_target()
-      scene_props.camera_position = camera_position
-      scene_props.camera_target = camera_target
-      on_camera_move?.({
-        structure,
-        camera_has_moved,
-        camera_position,
-        camera_target,
-      })
-    }
-
-    emit_camera_move()
-    const emit_interval = setInterval(emit_camera_move, 200)
-    return () => clearInterval(emit_interval)
-  })
-
-  function reset_camera() {
-    // Reset camera position to trigger automatic positioning.
-    scene_props.camera_position = [0, 0, 0]
-    scene_props.camera_target = rotation_target_ref
-    camera_has_moved = false
-
-    let camera_position: Vec3 = [0, 0, 0]
-    let camera_target: Vec3 | undefined = rotation_target_ref
-
-    // Reset pan/zoom and ensure controls target returns to structure center.
-    if (orbit_controls && camera) {
-      if (
-        `reset` in orbit_controls &&
-        typeof orbit_controls.reset === `function`
-      ) orbit_controls.reset()
-      if (orbit_controls.target && rotation_target_ref) {
-        const [target_x, target_y, target_z] = rotation_target_ref
-        orbit_controls.target.set(target_x, target_y, target_z)
-      }
-
-      // Reset zoom for orthographic camera
-      if (`zoom` in camera && initial_computed_zoom !== undefined) {
-        const ortho_camera = camera as OrthographicCamera
-        ortho_camera.zoom = initial_computed_zoom
-        ortho_camera.updateProjectionMatrix()
-      }
-
-      // Call update to apply changes immediately
-      if (typeof orbit_controls.update === `function`) orbit_controls.update()
-      camera_position = read_camera_position() ?? camera_position
-      camera_target = read_orbit_target()
-    }
-
-    scene_props.camera_position = camera_position
-    scene_props.camera_target = camera_target
-    on_camera_reset?.({ structure, camera_has_moved, camera_position, camera_target })
-  }
-
-  const emit_file_load_event = (
-    loaded_structure: AnyStructure,
-    filename: string,
-    content: string | ArrayBuffer,
-  ) =>
-    on_file_load?.({
-      structure: loaded_structure,
-      filename,
-      file_size: typeof content === `string`
-        ? new Blob([content]).size
-        : content.byteLength,
-      total_atoms: loaded_structure.sites?.length || 0,
-    })
-
-  // Try to parse content as a volumetric file, setting both structure and volumetric data.
-  // Delegates format detection entirely to parse_volumetric_file (filename + content sniffing).
-  // Returns the parsed structure on success, or null if the file isn't a volumetric format.
-  function try_parse_volumetric(
-    text_content: string,
-    filename: string,
-  ): AnyStructure | null {
-    const vol_result = parse_volumetric_file(text_content, filename)
-    if (!vol_result) return null
-    // parse_volumetric_file extracts structure from file header;
-    // parsers set pbc so the lattice conforms to Crystal's LatticeType
-    structure = vol_result.structure as AnyStructure
-    volumetric_data = vol_result.volumes
-    // Auto-compute reasonable isosurface settings from data range
-    const vol = vol_result.volumes[0]
-    if (vol) {
-      isosurface_settings = auto_isosurface_settings(vol.data_range)
-      active_volume_idx = 0
-    }
-    return structure
-  }
-
-  // Parse file content, trying volumetric format first then falling back to plain structure.
-  // Returns the parsed structure on success, throws on failure.
-  function parse_file_content(text_content: string, filename: string): AnyStructure {
-    clear_camera_state()
-    const vol_struct = try_parse_volumetric(text_content, filename)
-    if (vol_struct) return vol_struct
-    // Clear stale volumetric data when loading a non-volumetric file
-    volumetric_data = []
-    const parsed = parse_any_structure(text_content, filename)
-    if (!parsed) throw new Error(`Failed to parse structure from ${filename}`)
-    structure = parsed
-    return parsed
-  }
-
-  const handle_file_drop = create_file_drop_handler({
-    allow: () => allow_file_drop,
-    on_drop: (content, filename) => {
-      if (on_file_drop) return on_file_drop(content, filename)
-      try {
-        const text_content = content instanceof ArrayBuffer
-          ? new TextDecoder().decode(content)
-          : content
-        const parsed = parse_file_content(text_content, filename)
-        emit_file_load_event(parsed, filename, content)
-      } catch (err) {
-        error_msg = `Failed to parse structure: ${
-          err instanceof Error ? err.message : String(err)
-        }`
-        on_error?.({ error_msg, filename })
-      }
-    },
-    on_error: (msg) => {
-      error_msg = msg
-      on_error?.({ error_msg: msg })
-    },
-    set_loading: (val) => {
-      loading = val
-      if (val) [error_msg, dragover] = [undefined, false]
-    },
-  })
-
-  function handle_keydown(event: KeyboardEvent) {
-    // Don't handle shortcuts if user is typing in an input field
-    const target = event.target as HTMLElement
-    const is_input_focused = target.tagName === `INPUT` ||
-      target.tagName === `TEXTAREA`
-
-    // Allow Escape to cancel add-atom mode even when the element input is focused
-    if (event.key === `Escape` && measure_mode === `edit-atoms` && add_atom_mode) {
-      event.preventDefault()
-      add_atom_mode = false
-      return
-    }
-
-    if (is_input_focused) return
-
-    // Edit-atoms mode shortcuts (including undo/redo)
-    if (measure_mode === `edit-atoms`) {
-      // Undo/redo shortcuts (Ctrl/Cmd + Z/Y) — only active in edit-atoms mode
-      if (event.ctrlKey || event.metaKey) {
-        const key = event.key.toLowerCase()
-        if (key === `z` && !event.shiftKey) {
-          event.preventDefault()
-          undo()
-          show_toast(`Undo (${undo_stack.length} left)`)
-          return
-        } else if (key === `y` || (key === `z` && event.shiftKey)) {
-          event.preventDefault()
-          redo()
-          show_toast(`Redo (${redo_stack.length} left)`)
-          return
-        }
-      }
-
-      if (event.key === `Delete` || event.key === `Backspace`) {
-        // Delete selected atoms
-        if (selected_sites.length > 0 && structure?.sites) {
-          event.preventDefault()
-          is_internal_edit = true
-          push_undo()
-          const to_delete = scene_to_structure_indices(selected_sites, true)
-          const n_deleted = to_delete.size
-          clear_selection()
-          structure = {
-            ...structure,
-            sites: structure.sites.filter((_, idx) => !to_delete.has(idx)),
-          }
-          // Clear per-site overrides since indices shifted after deletion
-          if (site_radius_overrides?.size > 0) site_radius_overrides.clear()
-          clear_bond_edits()
-          show_toast(`Deleted ${n_deleted} site${n_deleted > 1 ? `s` : ``}`)
-        }
-        return
-      }
-      const key = event.key.toLowerCase()
-      const plain = !event.ctrlKey && !event.metaKey && !event.altKey
-
-      if (key === `a` && plain) {
-        // Enter add-atom sub-mode (plain 'a' only, not Ctrl+A/Cmd+A/Alt+A)
-        event.preventDefault()
-        add_atom_mode = !add_atom_mode
-        return
-      }
-      // Change element of selected atoms
-      if (key === `e` && plain && selected_sites.length > 0) {
-        event.preventDefault()
-        change_element_mode = !change_element_mode
-        return
-      }
-      // Duplicate selected atoms at a small offset
-      if (
-        key === `d` && (event.ctrlKey || event.metaKey) &&
-        selected_sites.length > 0 && structure?.sites
-      ) {
-        event.preventDefault()
-        is_internal_edit = true
-        push_undo()
-        const orig_indices = scene_to_structure_indices(selected_sites)
-        const cart_to_frac = get_cart_to_frac()
-        const new_sites = structure.sites
-          .filter((_, idx) => orig_indices.has(idx))
-          .map((site) => {
-            const new_xyz: Vec3 = [
-              site.xyz[0] + 0.5,
-              site.xyz[1] + 0.5,
-              site.xyz[2] + 0.5,
-            ]
-            return {
-              ...site,
-              xyz: new_xyz,
-              abc: cart_to_frac?.(new_xyz) ?? new_xyz,
-              properties: { ...site.properties },
-            }
-          })
-        const base_idx = structure.sites.length
-        structure = {
-          ...structure,
-          sites: [...structure.sites, ...new_sites],
-        }
-        // Select the newly duplicated atoms
-        selected_sites = new_sites.map((_, idx) => base_idx + idx)
-        measured_sites = [...selected_sites]
-        show_toast(
-          `Duplicated ${new_sites.length} site${new_sites.length > 1 ? `s` : ``}`,
-        )
-        return
-      }
-
-      // add_atom_mode Escape is already handled above (before is_input_focused guard)
-      if (event.key === `Escape`) {
-        if (change_element_mode) {
-          change_element_mode = false
-          return
-        }
-        if (selected_sites.length > 0) {
-          clear_selection()
-          return
-        }
-      }
-    }
-
-    // Interface shortcuts (require Ctrl/Cmd modifier to avoid accidental triggers)
-    const has_modifier = event.ctrlKey || event.metaKey
-    if (event.key === `f` && has_modifier && fullscreen_toggle) {
-      event.preventDefault()
-      toggle_fullscreen(wrapper)
-    } else if (event.key === `i` && has_modifier && enable_info_pane) {
-      event.preventDefault()
-      info_pane_open = !info_pane_open
-    } else if (event.key === `Escape`) {
-      // Prioritize closing panes, then exit edit modes, then exit fullscreen
-      if (info_pane_open) info_pane_open = false
-      else if (controls_open) controls_open = false
-      else if (export_pane_open) export_pane_open = false
-      else if (measure_mode === `edit-bonds` || measure_mode === `edit-atoms`) {
-        measure_mode = `distance`
-      }
-    }
-  }
-
-  // === Edit-atoms mode helpers ===
-
-  // Map scene indices (into displayed_structure) back to raw structure indices.
-  // Handles supercell atoms via orig_unit_cell_idx property.
-  // skip_image_atoms: when true, image atoms (PBC ghosts) are excluded from the result.
-  function scene_to_structure_indices(
-    scene_indices: number[],
-    skip_image_atoms = false,
-  ): SvelteSet<number> {
-    const result = new SvelteSet<number>()
-    for (const scene_idx of scene_indices) {
-      const displayed_site = displayed_structure?.sites?.[scene_idx]
-      if (!displayed_site) continue
-      if (skip_image_atoms && displayed_site.properties?.orig_site_idx != null) {
-        continue
-      }
-
-      if (has_supercell && displayed_site.properties?.orig_unit_cell_idx != null) {
-        result.add(displayed_site.properties.orig_unit_cell_idx as number)
-      } else if (displayed_site.properties?.orig_site_idx != null) {
-        // Image atom (PBC ghost) — map back to its original site index
-        result.add(displayed_site.properties.orig_site_idx as number)
-      } else {
-        result.add(scene_idx)
-      }
-    }
-    return result
-  }
-
-  // Try to create a Cartesian→fractional converter for the current structure's lattice
-  function get_cart_to_frac(): ((xyz: Vec3) => Vec3) | undefined {
-    if (!structure || !(`lattice` in structure)) return undefined
-    try {
-      return create_cart_to_frac((structure as Crystal).lattice.matrix)
-    } catch {
-      console.warn(`Failed to compute lattice inverse for fractional coordinates`)
-      return undefined
-    }
-  }
-
-  // Handle atom moves from TransformControls. Applies Cartesian delta and wraps
-  // fractional coords inline so normalize_fractional_coords hits its fast path.
-  function handle_sites_moved(scene_indices: number[], delta: Vec3) {
-    if (!structure?.sites) return
-    is_internal_edit = true
-
-    const orig_indices = scene_to_structure_indices(scene_indices)
-    // For crystals, wrap to [0,1) inline so normalize_fractional_coords fast-paths.
-    // For molecules (no lattice), just apply the Cartesian delta directly.
-    const lattice = `lattice` in structure
-      ? (structure as Crystal).lattice.matrix
-      : null
-    const cart_to_frac = lattice ? create_cart_to_frac(lattice) : null
-    const frac_to_cart = lattice ? create_frac_to_cart(lattice) : null
-    structure = {
-      ...structure,
-      sites: structure.sites.map((site, idx) => {
-        if (!orig_indices.has(idx)) return site
-        const new_xyz: Vec3 = [
-          site.xyz[0] + delta[0],
-          site.xyz[1] + delta[1],
-          site.xyz[2] + delta[2],
-        ]
-        if (!cart_to_frac || !frac_to_cart) {
-          return { ...site, xyz: new_xyz, abc: new_xyz }
-        }
-        const wrapped_abc = wrap_to_unit_cell(cart_to_frac(new_xyz))
-        return { ...site, xyz: frac_to_cart(wrapped_abc), abc: wrapped_abc }
-      }),
-    }
-  }
-
-  // Change element symbol of selected atoms
-  function handle_change_element(new_element: string) {
-    if (!structure?.sites || selected_sites.length === 0) return
-    const elem = normalize_element(new_element)
-    if (!elem) return
-    is_internal_edit = true
-    push_undo()
-    const orig_indices = scene_to_structure_indices(selected_sites)
-    structure = {
-      ...structure,
-      sites: structure.sites.map((site, idx) => {
-        if (!orig_indices.has(idx)) return site
-        return {
-          ...site,
-          species: [{ element: elem, occu: 1, oxidation_state: 0 }],
-          label: elem,
-        }
-      }),
-    }
-    change_element_mode = false
-    change_element_value = ``
-    show_toast(
-      `Changed ${orig_indices.size} site${
-        orig_indices.size > 1 ? `s` : ``
-      } to ${elem}`,
-    )
-  }
-
-  // Handle add-atom from StructureScene click-to-place
-  function handle_add_atom(xyz: Vec3, element: ElementSymbol) {
-    if (!structure) return
-    const elem = normalize_element(element)
-    if (!elem) {
-      return console.warn(`Invalid element symbol "${element}", ignoring add-atom`)
-    }
-    is_internal_edit = true
-    push_undo()
-    structure = {
-      ...structure,
-      sites: [...structure.sites, {
-        species: [{ element: elem, occu: 1, oxidation_state: 0 }],
-        xyz,
-        abc: get_cart_to_frac()?.(xyz) ?? xyz,
-        label: elem,
-        properties: {},
-      }],
-    }
-    show_toast(`Added ${elem} at (${xyz.map((c) => c.toFixed(2)).join(`, `)})`)
-  }
-
-  // Only set background override when background_color is explicitly provided
-  $effect(() => {
-    if (typeof window !== `undefined` && wrapper && background_color) {
-      // Convert opacity (0-1) to hex alpha value (00-FF)
-      const alpha_hex = Math.round(background_opacity * 255)
-        .toString(16)
-        .padStart(2, `0`)
-      wrapper.style.setProperty(
-        `--struct-bg-override`,
-        `${background_color}${alpha_hex}`,
-      )
-    } else if (typeof window !== `undefined` && wrapper) {
-      // Remove override to use theme system
-      wrapper.style.removeProperty(`--struct-bg-override`)
-    }
-  })
-
-  $effect(() => { // fullscreen and background
-    if (typeof window !== `undefined`) {
-      if (fullscreen && !document.fullscreenElement && wrapper) {
-        wrapper.requestFullscreen().catch(console.error)
-      } else if (!fullscreen && document.fullscreenElement) {
-        document.exitFullscreen()
-      }
-    }
-    set_fullscreen_bg(wrapper, fullscreen, `--struct-bg-fullscreen`)
-  })
-</script>
-
-<svelte:document
-  onfullscreenchange={() => {
-    fullscreen = Boolean(document.fullscreenElement)
-    on_fullscreen_change?.({ structure, fullscreen })
-  }}
-/>
-
-<!-- svelte-ignore a11y_no_noninteractive_tabindex -->
-<div
-  class:dragover
-  class:active={info_pane_open || controls_open || export_pane_open}
-  role="application"
-  tabindex="0"
-  style:--canvas-cursor={canvas_cursor}
-  aria-label="Structure viewer"
-  bind:this={wrapper}
-  bind:clientWidth={width}
-  bind:clientHeight={height}
-  onmouseenter={() => (hovered = true)}
-  onmouseleave={() => (hovered = false)}
-  ondblclick={(event) => {
-    const target = event.target as HTMLElement
-    // Don't reset if double-click was on UI controls/panes/legend
-    if (
-      target.closest(`.control-buttons`) ||
-      target.closest(`.structure-legend`) ||
-      target.closest(`.atom-legend`) ||
-      target.closest(`.info-pane`) ||
-      target.closest(`.export-pane`) ||
-      target.closest(`.controls-pane`) ||
-      target.tagName === `BUTTON` ||
-      target.tagName === `INPUT` ||
-      target.tagName === `SELECT`
-    ) return
-    // Reset camera for double-clicks on the 3D scene
-    reset_camera()
-  }}
-  ondrop={handle_file_drop}
-  ondragover={(event) => {
-    event.preventDefault()
-    if (!allow_file_drop) return
-    dragover = true
-  }}
-  ondragleave={(event) => {
-    event.preventDefault()
-    dragover = false
-  }}
-  onkeydown={handle_keydown}
-  {...rest}
-  class="structure {rest.class ?? ``}"
->
-  {@render children?.({ structure, fullscreen })}
-  {#if loading}
-    <Spinner
-      text="Loading structure..."
-      {...spinner_props}
-      style="position: absolute; top: 50%; left: 50%; transform: translate(-50%, -50%)"
-    />
-  {:else if error_msg}
-    <StatusMessage bind:message={error_msg} type="error" dismissible />
-  {:else if (structure?.sites?.length ?? 0) > 0}
-    <section
-      class="control-buttons {controls_config.class}"
-      style={controls_config.style}
-    >
-      {#if controls_config.mode !== `never`}
-        {#if camera_has_moved && controls_config.visible(`reset-camera`)}
-          <button class="reset-camera" onclick={reset_camera} title={reset_text}>
-            <!-- Target/Focus icon for reset camera -->
-            <Icon icon="Reset" />
-          </button>
-        {/if}
-        {#if fullscreen_toggle && controls_config.visible(`fullscreen`)}
-          <button
-            type="button"
-            onclick={() => fullscreen_toggle && toggle_fullscreen(wrapper)}
-            title="{fullscreen ? `Exit` : `Enter`} fullscreen"
-            aria-pressed={fullscreen}
-            class="fullscreen-toggle"
-            style="padding: 0 3px"
-            {@attach tooltip()}
-          >
-            {#if typeof fullscreen_toggle === `function`}
-              {@render fullscreen_toggle({ fullscreen })}
-            {:else}
-              <Icon icon="{fullscreen ? `Exit` : ``}Fullscreen" />
-            {/if}
-          </button>
-        {/if}
-
-        {#if enable_measure_mode && controls_config.visible(`measure-mode`)}
-          <div
-            class="measure-mode-dropdown"
-            {@attach click_outside({ callback: () => measure_menu_open = false })}
-          >
-            <button
-              onclick={() => (measure_menu_open = !measure_menu_open)}
-              title="Measure / Edit"
-              class="view-mode-button"
-              class:active={measure_menu_open}
-              aria-expanded={measure_menu_open}
-              style="transform: scale(1.2)"
-            >
-              {#if (measured_sites?.length ?? 0) >= MAX_SELECTED_SITES}
-                <span class="selection-limit-text">
-                  {measured_sites.length}/{MAX_SELECTED_SITES}
-                </span>
-              {:else}
-                <Icon
-                  icon={({
-                    distance: `Ruler`,
-                    angle: `Angle`,
-                    'edit-bonds': `Link`,
-                    'edit-atoms': `Edit`,
-                  } as const)[measure_mode]}
-                />
-              {/if}
-              <Icon
-                icon="Arrow{measure_menu_open ? `Up` : `Down`}"
-                style="margin-left: -2px"
-              />
-            </button>
-            {#if (measured_sites?.length ?? 0) > 0 || has_bond_edits}
-              <button
-                type="button"
-                aria-label="Reset selection and bond edits"
-                onclick={() => {
-                  clear_selection()
-                  clear_bond_edits()
-                }}
-              >
-                <Icon icon="Reset" style="margin-left: -4px" />
-              </button>
-            {/if}
-            {#if measure_menu_open}
-              <div class="view-mode-dropdown">
-                {#each [
-            { mode: `distance`, icon: `Ruler`, label: `Distance`, scale: 1.1 },
-            { mode: `angle`, icon: `Angle`, label: `Angle`, scale: 1.3 },
-            {
-              mode: `edit-atoms`,
-              icon: `Edit`,
-              label: `Edit Atoms`,
-              scale: 1.0,
-            },
-            {
-              mode: `edit-bonds`,
-              icon: `Link`,
-              label: `Edit Bonds`,
-              scale: 1.0,
-            },
-          ] as const as
-                  { mode, icon, label, scale }
-                  (mode)
-                }
-                  <button
-                    class="view-mode-option"
-                    class:selected={measure_mode === mode}
-                    disabled={mode === `edit-bonds` && !bond_edits_enabled}
-                    title={mode === `edit-bonds` && !bond_edits_enabled
-                      ? `Bond editing is only available for the original 1x1x1 cell`
-                      : label}
-                    onclick={() => {
-                      if (mode === `edit-bonds` && !bond_edits_enabled) return
-                      ;[measure_mode, measure_menu_open] = [mode, false]
-                    }}
-                  >
-                    <Icon {icon} style="transform: scale({scale})" />
-                    <span>{@html sanitize_html(label)}</span>
-                  </button>
-                {/each}
-              </div>
-            {/if}
-          </div>
-
-          <!-- Undo/redo buttons (only in edit-atoms mode) -->
-          {#if measure_mode === `edit-atoms`}
-            <div class="undo-redo-container">
-              <button
-                type="button"
-                aria-label="Undo (Ctrl+Z)"
-                disabled={undo_stack.length === 0}
-                onclick={undo}
-                title="Undo (Ctrl+Z)"
-                class="undo-redo-btn"
-              >
-                <Icon icon="Undo" />
-                {#if undo_stack.length > 0}
-                  <span class="history-count">{undo_stack.length}</span>
-                {/if}
-              </button>
-              <button
-                type="button"
-                aria-label="Redo (Ctrl+Y)"
-                disabled={redo_stack.length === 0}
-                onclick={redo}
-                title="Redo (Ctrl+Y)"
-                class="undo-redo-btn"
-              >
-                <Icon icon="Redo" />
-                {#if redo_stack.length > 0}
-                  <span class="history-count">{redo_stack.length}</span>
-                {/if}
-              </button>
-            </div>
-          {/if}
-
-          <!-- Add-atom element input (shown when add_atom_mode is active) -->
-          {#if measure_mode === `edit-atoms` && add_atom_mode}
-            <div class="add-atom-input">
-              <label>
-                <span>Element:</span>
-                <input
-                  type="text"
-                  bind:value={add_element}
-                  maxlength="2"
-                  placeholder="C"
-                  style="width: 3em; text-align: center"
-                />
-              </label>
-              <span style="font-size: 0.75em; opacity: 0.7">Click to place</span>
-            </div>
-          {/if}
-
-          <!-- Change-element input (shown when 'e' pressed with selection) -->
-          {#if measure_mode === `edit-atoms` && change_element_mode &&
-        selected_sites.length > 0}
-            <div class="add-atom-input">
-              <label>
-                <span>New element:</span>
-                <input
-                  type="text"
-                  bind:value={change_element_value}
-                  maxlength="2"
-                  placeholder="Fe"
-                  style="width: 3em; text-align: center"
-                  onkeydown={(event: KeyboardEvent) => {
-                    if (event.key === `Enter`) {
-                      handle_change_element(change_element_value)
-                    } else if (event.key === `Escape`) {
-                      change_element_mode = false
-                    }
-                    event.stopPropagation()
-                  }}
-                  {@attach (node: HTMLInputElement) => {
-                    node.focus()
-                  }}
-                />
-              </label>
-              <span style="font-size: 0.75em; opacity: 0.7">Enter to apply</span>
-            </div>
-          {/if}
-        {/if}
-
-        {#if enable_info_pane && normalized_structure &&
-        controls_config.visible(`info-pane`)}
-          <StructureInfoPane
-            structure={normalized_structure}
-            bind:pane_open={info_pane_open}
-            bind:highlighted_sites
-            bind:hovered_site_idx
-            bind:selected_sites
-            {sym_data}
-            {@attach tooltip({ content: `Structure info pane` })}
-          />
-        {/if}
-
-        {#if controls_config.visible(`export-pane`)}
-          <StructureExportPane
-            bind:export_pane_open
-            structure={normalized_structure}
-            {wrapper}
-            {scene}
-            {camera}
-            bind:png_dpi
-            pane_props={{ style: `max-height: calc(${height}px - 50px)` }}
-          />
-        {/if}
-
-        {#if controls_config.visible(`controls`)}
-          <StructureControls
-            bind:controls_open
-            bind:scene_props
-            bind:lattice_props
-            bind:show_image_atoms
-            bind:supercell_scaling
-            bind:background_color
-            bind:background_opacity
-            bind:color_scheme
-            bind:atom_color_config
-            bind:cell_type
-            bind:volumetric_data
-            bind:isosurface_settings
-            bind:active_volume_idx
-            {structure}
-            {supercell_loading}
-            {sym_data}
-          />
-        {/if}
-
-        {@render top_right_controls?.()}
-      {/if}
-    </section>
-
-    <AtomLegend
-      bind:atom_color_config
-      {property_colors}
-      elements={get_element_counts(supercell_structure ?? structure!)}
-      bind:hidden_elements
-      bind:hidden_prop_vals
-      bind:element_mapping
-      bind:element_radius_overrides
-      bind:site_radius_overrides
-      {selected_sites}
-      structure={displayed_structure}
-      {sym_data}
-    >
-      {#if structure && `lattice` in structure}
-        <CellSelect
-          bind:supercell_scaling
-          bind:cell_type
-          {sym_data}
-          loading={supercell_loading}
-          direction="up"
-        />
-      {/if}
-    </AtomLegend>
-
-    <!-- prevent from rendering in vitest runner since WebGLRenderingContext not available -->
-    {#if typeof WebGLRenderingContext !== `undefined`}
-      <!-- prevent HTML labels from rendering outside of the canvas -->
-      <div style="overflow: hidden; height: 100%; width: 100%">
-        <Canvas>
-          <StructureScene
-            structure={displayed_structure}
-            base_structure={cell_transformed_structure}
-            {...scene_props}
-            {lattice_props}
-            volumetric_data={supercell_volume}
-            {isosurface_settings}
-            bind:camera_is_moving
-            bind:selected_sites
-            active_sites={active_scene_sites}
-            bind:hovered_idx={hovered_site_idx}
-            bind:measured_sites
-            bind:scene
-            bind:camera
-            bind:orbit_controls
-            bind:rotation_target_ref
-            bind:initial_computed_zoom
-            bind:hidden_elements
-            bind:hidden_prop_vals
-            bind:element_radius_overrides
-            bind:site_radius_overrides
-            bind:added_bonds
-            bind:removed_bonds
-            bind:bond_order_overrides
-            {bond_edits_enabled}
-            {measure_mode}
-            {width}
-            {height}
-            {atom_color_config}
-            {sym_data}
-            on_sites_moved={handle_sites_moved}
-            on_operation_start={push_undo}
-            on_add_atom={handle_add_atom}
-            bind:add_atom_mode
-            bind:add_element
-            bind:cursor={canvas_cursor}
-            bind:dragging_atoms
-          />
-        </Canvas>
-      </div>
-    {/if}
-
-    <div class="bottom-left">
-      {@render bottom_left?.({ structure: displayed_structure })}
-    </div>
-
-    {#if toast_msg}
-      <div class="edit-toast">{toast_msg}</div>
-    {/if}
-
-    {#if measure_mode === `edit-bonds` && has_bond_edits}
-      <div class="bond-edit-status">
-        {#if added_bonds.length > 0}
-          <span class="added">+{added_bonds.length} added</span>
-        {/if}
-        {#if removed_bonds.length > 0}
-          <span class="removed">-{removed_bonds.length} removed</span>
-        {/if}
-        {#if bond_order_overrides.length > 0}
-          <span class="changed">{bond_order_overrides.length} ordered</span>
-        {/if}
-      </div>
-    {/if}
-
-    {#if symmetry_error}
-      <div class="symmetry-error">
-        <span>{symmetry_error}</span>
-        <button onclick={() => (symmetry_error = undefined)} aria-label="Dismiss">
-          ×
-        </button>
-      </div>
-    {/if}
-  {:else if structure}
-    <p class="warn">No sites found in structure</p>
-  {:else}
-    <p class="warn">No structure provided</p>
-  {/if}
-</div>
-
-<style>
-  .structure {
-    position: relative;
-    container-type: size; /* enable cqh/cqw for internal panes */
-    height: var(--struct-height, 500px);
-    width: var(--struct-width, 100%);
-    max-width: var(--struct-max-width, 100%);
-    min-width: var(--struct-min-width, 300px);
-    border-radius: var(--struct-border-radius, var(--border-radius, 3pt));
-    background: var(--struct-bg-override, var(--struct-bg));
-    color: var(--struct-text-color);
-    display: flex;
-  }
-  .structure.active {
-    z-index: var(--struct-active-z-index, 2);
-  }
-  .structure:fullscreen {
-    background: var(--struct-bg-fullscreen, var(--struct-bg));
-    overflow: hidden;
-  }
-  .structure:fullscreen :global(canvas) {
-    height: 100vh !important;
-    width: 100vw !important;
-  }
-  .structure.dragover {
-    background: var(--struct-dragover-bg, var(--dragover-bg));
-    border: var(--struct-dragover-border, var(--dragover-border));
-  }
-  /* Ensure canvas is transparent so the themed --struct-bg shows through */
-  .structure :global(canvas) {
-    background: transparent;
-    cursor: var(--canvas-cursor, default);
-  }
-  /* Avoid accidental text selection while interacting with the viewer */
-  .structure :global(canvas),
-  .structure section.control-buttons,
-  .structure .bottom-left {
-    user-select: none;
-  }
-  div.bottom-left {
-    position: absolute;
-    bottom: 0;
-    left: 0;
-    font-size: var(--struct-bottom-left-font-size, 1.2em);
-    padding: var(--struct-bottom-left-padding, 1pt 5pt);
-  }
-  section.control-buttons {
-    position: absolute;
-    display: flex;
-    top: var(--struct-buttons-top, var(--ctrl-btn-top, 1ex));
-    right: var(--struct-buttons-right, var(--ctrl-btn-right, 1ex));
-    gap: 4pt;
-    /* buttons need higher z-index than AtomLegend to make info/controls panes occlude legend */
-    /* we also need crazy high z-index to make info/control pane occlude threlte/extras' <HTML> elements for site labels */
-    z-index: var(
-      --struct-buttons-z-index,
-      var(--z-index-overlay-controls, 100000000)
-    );
-    opacity: 0;
-    pointer-events: none;
-    transition: opacity 0.2s ease;
-  }
-  /* Mode: always - controls always visible */
-  section.control-buttons.always-visible {
-    opacity: 1;
-    pointer-events: auto;
-  }
-  /* Mode: hover - controls visible on component hover */
-  .structure:hover section.control-buttons.hover-visible,
-  .structure:focus-within section.control-buttons.hover-visible {
-    opacity: 1;
-    pointer-events: auto;
-  }
-  /* Mode: never - stays hidden (default state, no additional CSS needed) */
-  section.control-buttons > :global(button) {
-    background-color: transparent;
-    display: flex;
-    padding: 1px 6px;
-    border-radius: var(--border-radius, 3pt);
-    font-size: clamp(0.85em, 2cqmin, 1.3em);
-  }
-  section.control-buttons :global(button:hover) {
-    background-color: color-mix(in srgb, currentColor 8%, transparent);
-  }
-  /* Match Trajectory dropdown UI */
-  .view-mode-dropdown {
-    position: absolute;
-    top: 115%;
-    right: 0;
-    background: var(--surface-bg);
-    border-radius: var(--border-radius, 3pt);
-    box-shadow: 0 8px 16px -4px rgba(0, 0, 0, 0.3), 0 4px 8px -2px rgba(0, 0, 0, 0.1);
-    display: flex;
-    flex-direction: column;
-  }
-  .view-mode-option {
-    display: flex;
-    align-items: center;
-    gap: 1ex;
-    width: 100%;
-    padding: var(--trajectory-view-mode-option-padding, 5pt);
-    box-sizing: border-box;
-    background: transparent;
-    border-radius: 0;
-    text-align: left;
-    transition: background-color 0.15s ease;
-  }
-  .view-mode-option:first-child {
-    border-top-left-radius: 3px;
-    border-top-right-radius: 3px;
-  }
-  .view-mode-option.selected {
-    color: var(--accent-color);
-  }
-  .view-mode-option span {
-    font-weight: 500;
-    white-space: nowrap;
-    overflow: hidden;
-    text-overflow: ellipsis;
-    flex: 1;
-  }
-  .measure-mode-dropdown {
-    display: flex;
-    position: relative;
-    height: fit-content;
-    place-self: center;
-  }
-  .measure-mode-dropdown > button {
-    background: transparent;
-    padding: 1px 6px;
-    font-size: clamp(0.85em, 2cqmin, 1.3em);
-  }
-  .selection-limit-text {
-    font-weight: bold;
-    font-size: 0.9em;
-    color: var(--accent-color, #ff6b6b);
-    min-width: 2.5em;
-    text-align: center;
-  }
-  p.warn {
-    position: absolute;
-    inset: 0;
-    display: grid;
-    place-content: center;
-  }
-  .symmetry-error {
-    position: absolute;
-    bottom: 1rem;
-    right: 1rem;
-    background: rgba(255, 165, 0, 0.95);
-    color: #000;
-    padding: 0.75rem 1rem;
-    border-radius: var(--border-radius, 3pt);
-    box-shadow: 0 4px 12px rgba(0, 0, 0, 0.15);
-    display: flex;
-    gap: 1rem;
-    max-width: min(90%, 400px);
-    font-size: 0.9rem;
-    z-index: 1000;
-  }
-  .symmetry-error span {
-    flex: 1;
-  }
-  .symmetry-error button {
-    background: transparent;
-    border: none;
-    font-size: 1.5rem;
-    line-height: 1;
-    padding: 0;
-    cursor: pointer;
-    opacity: 0.7;
-  }
-  .symmetry-error button:hover {
-    opacity: 1;
-  }
-  .edit-toast {
-    position: absolute;
-    bottom: 3rem;
-    left: 50%;
-    transform: translateX(-50%);
-    background: color-mix(in srgb, var(--page-bg, Canvas) 85%, currentColor);
-    color: var(--text-color, currentColor);
-    padding: 0.4rem 0.8rem;
-    border-radius: var(--border-radius, 3pt);
-    font-size: 0.8rem;
-    z-index: 100;
-    pointer-events: none;
-    box-shadow: 0 1px 4px rgba(0, 0, 0, 0.15);
-    animation: toast-fade 2s ease-in-out;
-    opacity: 0;
-  }
-  @keyframes toast-fade {
-    0%, 70% {
-      opacity: 1;
-    }
-    100% {
-      opacity: 0;
-    }
-  }
-  .bond-edit-status {
-    position: absolute;
-    bottom: 1rem;
-    left: 50%;
-    transform: translateX(-50%);
-    background: color-mix(in srgb, var(--page-bg, Canvas) 85%, currentColor);
-    color: var(--text-color, currentColor);
-    padding: 0.5rem 1rem;
-    border-radius: var(--border-radius, 3pt);
-    font-size: 0.85rem;
-    display: flex;
-    gap: 0.75rem;
-    z-index: 100;
-    pointer-events: none;
-    box-shadow: 0 1px 4px rgba(0, 0, 0, 0.15);
-  }
-  .bond-edit-status .added {
-    color: #4caf50;
-    font-weight: bold;
-  }
-  .bond-edit-status .removed {
-    color: #f44336;
-    font-weight: bold;
-  }
-  .bond-edit-status .changed {
-    color: var(--accent-color, #007acc);
-    font-weight: bold;
-  }
-  /* CellSelect: position at left of legend, show on hover */
-  .structure :global(.cell-select) {
-    order: -1; /* Move to left side of AtomLegend flex container */
-    opacity: 0;
-    pointer-events: none;
-    transition: opacity 0.3s ease;
-  }
-  .structure:hover :global(.cell-select) {
-    opacity: 1;
-    pointer-events: auto;
-  }
-  .undo-redo-container {
-    display: flex;
-  }
-  .undo-redo-btn {
-    position: relative;
-    display: flex;
-    align-items: center;
-    justify-content: center;
-  }
-  .history-count {
-    position: absolute;
-    bottom: -2px;
-    right: -2px;
-    background: var(--accent-color, #007acc);
-    color: white;
-    border-radius: 50%;
-    width: 12px;
-    height: 12px;
-    font-size: 8px;
-    font-weight: bold;
-    display: flex;
-    align-items: center;
-    justify-content: center;
-    line-height: 1;
-    pointer-events: none;
-    z-index: 1;
-  }
-  .add-atom-input {
-    display: flex;
-    align-items: center;
-    gap: 0.5em;
-    background: color-mix(in srgb, var(--page-bg, Canvas) 85%, currentColor);
-    color: var(--text-color, currentColor);
-    padding: 0.3em 0.6em;
-    border-radius: var(--border-radius, 3pt);
-    font-size: 0.8rem;
-    box-shadow: 0 1px 4px rgba(0, 0, 0, 0.15);
-    label {
-      display: flex;
-      align-items: center;
-      gap: 0.3em;
-    }
-    input {
-      background: color-mix(in srgb, currentColor 10%, transparent);
-      border: 1px solid color-mix(in srgb, currentColor 20%, transparent);
-      border-radius: 3px;
-      color: inherit;
-      font-size: 0.85rem;
-      padding: 0.1em 0.3em;
-    }
-  }
-</style>