matterviz 0.3.4 → 0.3.6

package/dist/spectral/Bands.svelte.d.ts

@@ -1,40 +0,0 @@
-import ScatterPlot from '../plot/ScatterPlot.svelte';
-import type { AxisConfig } from '../plot/types';
-import type { BandsSpinMode, BandStructureType, BaseBandStructure, FrequencyUnit, LineKwargs, PathMode, RibbonConfig } from './types';
-import type { ComponentProps } from 'svelte';
-type $$ComponentProps = ComponentProps<typeof ScatterPlot> & {
-    band_structs: BaseBandStructure | Record<string, BaseBandStructure>;
-    x_axis?: AxisConfig;
-    y_axis?: AxisConfig;
-    line_kwargs?: LineKwargs;
-    path_mode?: PathMode;
-    band_type?: BandStructureType;
-    show_legend?: boolean;
-    x_positions?: Record<string, [number, number]>;
-    reference_frequency?: number | null;
-    ribbon_config?: RibbonConfig | Record<string, RibbonConfig>;
-    fermi_level?: number;
-    units?: FrequencyUnit;
-    band_spin_mode?: BandsSpinMode;
-    highlight_regions?: {
-        y_min: number;
-        y_max: number;
-        color?: string;
-        opacity?: number;
-        label?: string;
-    }[];
-    shade_imaginary_modes?: boolean;
-    show_gap_annotation?: boolean;
-    show_controls?: boolean;
-    show_path_mode_control?: boolean;
-    show_units_control?: boolean;
-    show_spin_control?: boolean;
-    show_annotation_controls?: boolean;
-    id?: string;
-    class?: string;
-    style?: string;
-    'data-testid'?: string;
-};
-declare const Bands: import("svelte").Component<$$ComponentProps, {}, "y_axis" | "units" | "x_positions" | "band_spin_mode">;
-type Bands = ReturnType<typeof Bands>;
-export default Bands;

package/dist/spectral/BandsAndDos.svelte

@@ -1,128 +0,0 @@
-<script lang="ts">
-  import type { Vec2 } from '../math'
-  import type { AxisConfig } from '../plot/types'
-  import type { ComponentProps, Snippet } from 'svelte'
-  import { untrack } from 'svelte'
-  import type { HTMLAttributes } from 'svelte/elements'
-  import Bands from './Bands.svelte'
-  import Dos from './Dos.svelte'
-  import {
-    compute_frequency_range,
-    detect_zoom_change,
-    extract_efermi,
-    is_valid_range,
-    ranges_equal,
-  } from './helpers'
-  import type { BaseBandStructure, DosInput, HoveredData } from './types'
-
-  let {
-    band_structs,
-    doses,
-    bands_props = {},
-    dos_props = {},
-    shared_y_axis = true,
-    sync_y_zoom = true,
-    children,
-    ...rest
-  }: HTMLAttributes<HTMLDivElement> & {
-    band_structs: BaseBandStructure | Record<string, BaseBandStructure>
-    doses: DosInput | Record<string, DosInput>
-    bands_props?: Partial<ComponentProps<typeof Bands>>
-    dos_props?: Partial<ComponentProps<typeof Dos>>
-    shared_y_axis?: boolean
-    sync_y_zoom?: boolean
-    class?: string
-    children?: Snippet<[HoveredData]>
-  } = $props()
-
-  let shared_frequency_range = $derived(
-    shared_y_axis ? compute_frequency_range(band_structs, doses) : undefined,
-  )
-  let fermi_level = $derived(extract_efermi(band_structs) ?? extract_efermi(doses))
-
-  // Synced zoom state (null = use auto-computed range)
-  let synced_zoom_range = $state<Vec2 | null>(null)
-  let bands_y_axis = $state<AxisConfig>({})
-  let dos_y_axis = $state<AxisConfig>({ label: `` })
-
-  // Detect zoom changes and sync between components (runs first to capture child updates)
-  $effect(() => {
-    if (!sync_y_zoom || !shared_frequency_range) return
-    const result = detect_zoom_change(
-      bands_y_axis.range,
-      dos_y_axis.range,
-      shared_frequency_range,
-      untrack(() => synced_zoom_range),
-    )
-    if (result !== undefined) synced_zoom_range = result
-  })
-
-  // Propagate synced range to bands y-axis (untrack current to avoid overwriting child zoom)
-  $effect(() => {
-    const base_range = synced_zoom_range ?? shared_frequency_range
-    const current_range = untrack(() => bands_y_axis.range) as Vec2 | undefined
-    // Skip if current range already matches base, or is valid but differs (child zoom in progress)
-    if (ranges_equal(current_range, base_range)) return
-    if (is_valid_range(current_range) && !ranges_equal(current_range, base_range)) {
-      return
-    }
-    // Only include range if it's valid (don't override child's auto-range with undefined)
-    bands_y_axis = shared_y_axis
-      ? {
-        ...(bands_props.y_axis ?? {}),
-        ...(is_valid_range(base_range) && { range: base_range }),
-      }
-      : { ...(bands_props.y_axis ?? {}) }
-  })
-
-  // Propagate synced range to DOS y-axis (untrack current to avoid overwriting child zoom)
-  $effect(() => {
-    const base_range = synced_zoom_range ?? shared_frequency_range
-    const current_range = untrack(() => dos_y_axis.range) as Vec2 | undefined
-    // Skip if current range already matches base, or is valid but differs (child zoom in progress)
-    if (ranges_equal(current_range, base_range)) return
-    if (is_valid_range(current_range) && !ranges_equal(current_range, base_range)) {
-      return
-    }
-    // Only include range if it's valid (don't override child's auto-range with undefined)
-    dos_y_axis = shared_y_axis
-      ? {
-        label: ``,
-        ...(dos_props.y_axis ?? {}),
-        ...(is_valid_range(base_range) && { range: base_range }),
-      }
-      : { label: ``, ...(dos_props.y_axis ?? {}) }
-  })
-
-  let hovered_frequency = $state<number | null>(null)
-
-  // Ensure both plots use identical top/bottom padding for aligned y_scale_fn
-  const shared_tb_padding = { t: 20, b: 50 }
-</script>
-
-<div
-  {...rest}
-  class="bands-and-dos {rest.class ?? ``}"
-  style={`display: grid; grid-template-columns: 1fr 200px; gap: 0;` + (rest.style ?? ``)}
->
-  {@render children?.({ hovered_frequency })}
-  <Bands
-    {...bands_props}
-    {band_structs}
-    {fermi_level}
-    bind:y_axis={bands_y_axis}
-    reference_frequency={hovered_frequency}
-    padding={{ r: 15, ...bands_props.padding, ...shared_tb_padding }}
-  />
-
-  <Dos
-    {...dos_props}
-    {doses}
-    {fermi_level}
-    orientation="horizontal"
-    bind:y_axis={dos_y_axis}
-    bind:hovered_frequency
-    reference_frequency={hovered_frequency}
-    padding={{ l: 15, ...dos_props.padding, ...shared_tb_padding }}
-  />
-</div>

package/dist/spectral/BandsAndDos.svelte.d.ts

@@ -1,18 +0,0 @@
-import type { ComponentProps, Snippet } from 'svelte';
-import type { HTMLAttributes } from 'svelte/elements';
-import Bands from './Bands.svelte';
-import Dos from './Dos.svelte';
-import type { BaseBandStructure, DosInput, HoveredData } from './types';
-type $$ComponentProps = HTMLAttributes<HTMLDivElement> & {
-    band_structs: BaseBandStructure | Record<string, BaseBandStructure>;
-    doses: DosInput | Record<string, DosInput>;
-    bands_props?: Partial<ComponentProps<typeof Bands>>;
-    dos_props?: Partial<ComponentProps<typeof Dos>>;
-    shared_y_axis?: boolean;
-    sync_y_zoom?: boolean;
-    class?: string;
-    children?: Snippet<[HoveredData]>;
-};
-declare const BandsAndDos: import("svelte").Component<$$ComponentProps, {}, "">;
-type BandsAndDos = ReturnType<typeof BandsAndDos>;
-export default BandsAndDos;

package/dist/spectral/BrillouinBandsDos.svelte

@@ -1,248 +0,0 @@
-<script lang="ts">
-  import { BrillouinZone, reciprocal_lattice } from '../brillouin'
-  import type { Vec2, Vec3 } from '../math'
-  import type { InternalPoint } from '../plot'
-  import type { AxisConfig } from '../plot/types'
-  import type { Crystal } from '../structure'
-  import type { ComponentProps, Snippet } from 'svelte'
-  import { untrack } from 'svelte'
-  import type { HTMLAttributes } from 'svelte/elements'
-  import Bands from './Bands.svelte'
-  import Dos from './Dos.svelte'
-  import * as helpers from './helpers'
-  import type { BaseBandStructure, DosData, HoveredData } from './types'
-
-  let {
-    structure,
-    band_structs,
-    doses,
-    bands_props = {},
-    dos_props = {},
-    bz_props = {},
-    sync_y_zoom = true,
-    children,
-    ...rest
-  }: HTMLAttributes<HTMLDivElement> & {
-    structure: Crystal
-    band_structs: BaseBandStructure | Record<string, BaseBandStructure>
-    doses: DosData | Record<string, DosData>
-    bands_props?: Partial<ComponentProps<typeof Bands>>
-    dos_props?: Partial<ComponentProps<typeof Dos>>
-    bz_props?: Partial<ComponentProps<typeof BrillouinZone>>
-    sync_y_zoom?: boolean // Sync frequency/energy axis zoom between plots (default: true)
-    children?: Snippet<[HoveredData]>
-  } = $props()
-
-  // Get the first normalized band structure for path calculations
-  // Support both qpoints (phonon) and kpoints (electronic) to detect single vs dict
-  let first_band_struct = $derived(
-    helpers.normalize_band_structure(
-      `qpoints` in (band_structs as object) || `kpoints` in (band_structs as object)
-        ? band_structs
-        : Object.values(band_structs)[0],
-    ),
-  ) as BaseBandStructure | null
-
-  // Compute shared frequency/energy range from both bands and DOS data
-  let shared_frequency_range = $derived(
-    helpers.compute_frequency_range(band_structs, doses),
-  )
-
-  // Extract Fermi level from electronic band structure or DOS data
-  let fermi_level = $derived.by((): number | undefined => {
-    // Check band structures for efermi
-    const bs_source = `efermi` in (band_structs as object)
-      ? band_structs
-      : Object.values(band_structs)[0]
-    const bs_efermi = (bs_source as Record<string, unknown>)?.efermi
-    if (typeof bs_efermi === `number`) return bs_efermi
-
-    // Check DOS for efermi
-    const dos_source = `efermi` in (doses as object) ? doses : Object.values(doses)[0]
-    const dos_efermi = (dos_source as Record<string, unknown>)?.efermi
-    return typeof dos_efermi === `number` ? dos_efermi : undefined
-  })
-
-  // Convert fractional k-point coordinates to Cartesian reciprocal space
-  // using the structure's reciprocal lattice (consistent with BZ computation)
-  let k_path_points = $derived.by(() => {
-    if (!first_band_struct?.qpoints || !structure?.lattice?.matrix) return []
-
-    const k_lattice = reciprocal_lattice(structure.lattice.matrix)
-    return helpers.extract_k_path_points(first_band_struct, k_lattice)
-  })
-
-  let hovered_band_point = $state<InternalPoint | null>(null)
-  let bands_x_positions = $state<Record<string, [number, number]>>({})
-  let hovered_qpoint_index = $derived(
-    hovered_band_point && first_band_struct &&
-      Object.keys(bands_x_positions).length > 0
-      ? helpers.find_qpoint_at_rescaled_x(
-        first_band_struct,
-        hovered_band_point.x,
-        bands_x_positions,
-      )
-      : null,
-  )
-  let hovered_k_point = $derived(
-    hovered_qpoint_index !== null
-      ? (k_path_points[hovered_qpoint_index] as Vec3)
-      : null,
-  )
-  const [desktop_width, tablet_width] = [1200, 600]
-  let clientWidth = $state(desktop_width)
-  let is_desktop = $derived(clientWidth >= desktop_width)
-  let is_mobile = $derived(clientWidth < tablet_width)
-  let screen_class = $derived(
-    clientWidth >= desktop_width
-      ? `desktop`
-      : clientWidth >= tablet_width
-      ? `tablet`
-      : `phone`,
-  )
-
-  // Synced zoom state (null = use auto-computed range)
-  let synced_zoom_range = $state<Vec2 | null>(null)
-  let bands_y_axis = $state<AxisConfig>({})
-  let dos_y_axis = $state<AxisConfig>({})
-
-  // Detect zoom changes and sync between components (runs first to capture child updates)
-  $effect(() => {
-    if (!sync_y_zoom || !shared_frequency_range) return
-    const result = helpers.detect_zoom_change(
-      bands_y_axis.range,
-      dos_y_axis.range,
-      shared_frequency_range,
-      untrack(() => synced_zoom_range),
-      is_desktop, // DOS sync only enabled on desktop
-    )
-    if (result !== undefined) synced_zoom_range = result
-  })
-
-  // Propagate synced range to bands y-axis (untrack current to avoid overwriting child zoom)
-  $effect(() => {
-    const base_range = synced_zoom_range ?? shared_frequency_range
-    const current_range = untrack(() => bands_y_axis.range) as Vec2 | undefined
-    // Skip if current range already matches base, or is valid but differs (child zoom in progress)
-    if (helpers.ranges_equal(current_range, base_range)) return
-    if (
-      helpers.is_valid_range(current_range) &&
-      !helpers.ranges_equal(current_range, base_range)
-    ) return
-    // Only include range if it's valid (don't override child's auto-range with undefined)
-    bands_y_axis = {
-      ...(bands_props.y_axis ?? {}),
-      ...(helpers.is_valid_range(base_range) && { range: base_range }),
-    }
-  })
-
-  // Propagate synced range to DOS y-axis (untrack current to avoid overwriting child zoom)
-  $effect(() => {
-    const base_range = synced_zoom_range ?? shared_frequency_range
-    const current_range = untrack(() => dos_y_axis.range) as Vec2 | undefined
-    // Skip if current range already matches base, or is valid but differs (child zoom in progress)
-    if (helpers.ranges_equal(current_range, base_range)) return
-    if (
-      helpers.is_valid_range(current_range) &&
-      !helpers.ranges_equal(current_range, base_range)
-    ) return
-    // Only include range if it's valid (don't override child's auto-range with undefined)
-    dos_y_axis = is_desktop
-      ? {
-        label: ``,
-        ...(dos_props.y_axis ?? {}),
-        ...(helpers.is_valid_range(base_range) && { range: base_range }),
-      }
-      : { ...(dos_props.y_axis ?? {}) }
-  })
-
-  let hovered_frequency = $state<number | null>(null)
-</script>
-
-<div
-  {...rest}
-  class="bands-dos-brillouin {screen_class} {rest.class ?? ``}"
-  bind:clientWidth
->
-  {@render children?.({ hovered_frequency, hovered_band_point, hovered_qpoint_index })}
-  <Bands
-    style="grid-area: bands; min-width: 0; min-height: 0; overflow: hidden"
-    {band_structs}
-    {fermi_level}
-    {...bands_props}
-    padding={{ r: is_desktop ? 10 : 5, ...bands_props.padding }}
-    bind:y_axis={bands_y_axis}
-    bind:x_positions={bands_x_positions}
-    reference_frequency={hovered_frequency}
-    on_point_hover={(event) => {
-      hovered_band_point = event?.point ?? null
-      bands_props.on_point_hover?.(event)
-    }}
-  />
-
-  <BrillouinZone
-    style="grid-area: bz; min-width: 0; min-height: 0; overflow: hidden; height: 100%"
-    {structure}
-    {k_path_points}
-    k_path_labels={first_band_struct?.qpoints?.flatMap((q, idx) =>
-      k_path_points[idx]
-        ? [{
-          position: k_path_points[idx],
-          label: q.label ? helpers.pretty_sym_point(q.label) : null,
-        }]
-        : []
-    ) ?? []}
-    {hovered_k_point}
-    {hovered_qpoint_index}
-    {...bz_props}
-  />
-
-  <Dos
-    style="grid-area: dos; min-width: 0; min-height: 0; overflow: hidden"
-    {doses}
-    {fermi_level}
-    {...dos_props}
-    orientation={is_desktop ? `horizontal` : `vertical`}
-    x_axis={{
-      ticks: is_desktop ? 4 : undefined,
-      range: is_desktop ? undefined : shared_frequency_range,
-      ...dos_props.x_axis,
-    }}
-    bind:y_axis={dos_y_axis}
-    bind:hovered_frequency
-    reference_frequency={hovered_frequency}
-    padding={{
-      l: is_desktop ? 20 : undefined,
-      r: is_mobile ? 0 : undefined,
-      ...dos_props.padding,
-    }}
-  />
-</div>
-
-<style>
-  .bands-dos-brillouin {
-    width: var(--bz-bands-dos-width, 100%);
-    height: var(--bz-bands-dos-height, 600px);
-    min-height: var(--bz-bands-dos-min-height, 400px);
-    display: grid;
-    gap: var(--bz-bands-dos-gap, 1em);
-  }
-  .bands-dos-brillouin.desktop {
-    /* layout: BZ | bands | DOS side by side */
-    grid-template-columns: 30% 55% 15%;
-    grid-template-areas: 'bz bands dos';
-  }
-  .bands-dos-brillouin.tablet {
-    /* layout: bands on top, BZ and DOS below */
-    grid-template-columns: 40% 60%;
-    grid-template-rows: 50% 50%;
-    grid-template-areas:
-      'bands bands'
-      'bz dos';
-  }
-  .bands-dos-brillouin.phone {
-    /* layout: all stacked vertically */
-    grid-template-columns: 1fr;
-    grid-template-areas: 'bands' 'dos' 'bz';
-  }
-</style>

package/dist/spectral/BrillouinBandsDos.svelte.d.ts

@@ -1,20 +0,0 @@
-import { BrillouinZone } from '../brillouin';
-import type { Crystal } from '../structure';
-import type { ComponentProps, Snippet } from 'svelte';
-import type { HTMLAttributes } from 'svelte/elements';
-import Bands from './Bands.svelte';
-import Dos from './Dos.svelte';
-import type { BaseBandStructure, DosData, HoveredData } from './types';
-type $$ComponentProps = HTMLAttributes<HTMLDivElement> & {
-    structure: Crystal;
-    band_structs: BaseBandStructure | Record<string, BaseBandStructure>;
-    doses: DosData | Record<string, DosData>;
-    bands_props?: Partial<ComponentProps<typeof Bands>>;
-    dos_props?: Partial<ComponentProps<typeof Dos>>;
-    bz_props?: Partial<ComponentProps<typeof BrillouinZone>>;
-    sync_y_zoom?: boolean;
-    children?: Snippet<[HoveredData]>;
-};
-declare const BrillouinBandsDos: import("svelte").Component<$$ComponentProps, {}, "">;
-type BrillouinBandsDos = ReturnType<typeof BrillouinBandsDos>;
-export default BrillouinBandsDos;