matterviz 0.3.1 → 0.3.3

package/dist/element/types.d.ts

@@ -48,6 +48,7 @@ export type ChemicalElement = {
     summary: string;
     symbol: ElementSymbol;
     year: number | string;
+    mendeleev_number?: number;
     oxidation_states?: number[];
     common_oxidation_states?: number[];
     icsd_oxidation_states?: number[];

package/dist/feedback/ClickFeedback.svelte

@@ -1,8 +1,19 @@
-<script lang="ts">import Icon from '../Icon.svelte';
-// Generic feedback component that shows a transient icon at a specific position.
-// Commonly used for copy-to-clipboard feedback, but can display icons for
-// various user interactions.
-let { visible = $bindable(false), position = { x: 0, y: 0 }, icon = `Check`, } = $props();
+<script lang="ts">
+  import Icon from '../Icon.svelte'
+  import type { IconName } from '../icons'
+
+  // Generic feedback component that shows a transient icon at a specific position.
+  // Commonly used for copy-to-clipboard feedback, but can display icons for
+  // various user interactions.
+  let {
+    visible = $bindable(false),
+    position = { x: 0, y: 0 },
+    icon = `Check`,
+  }: {
+    visible?: boolean
+    position: { x: number; y: number }
+    icon?: IconName
+  } = $props()
 </script>
 
 {#if visible}

package/dist/feedback/DragOverlay.svelte

@@ -1,5 +1,13 @@
-<script lang="ts">import Icon from '../Icon.svelte';
-let { visible = false, message = `Drop JSON file to load phase diagram data`, } = $props();
+<script lang="ts">
+  import Icon from '../Icon.svelte'
+
+  let {
+    visible = false,
+    message = `Drop JSON file to load phase diagram data`,
+  }: {
+    visible?: boolean
+    message?: string
+  } = $props()
 </script>
 
 {#if visible}

package/dist/feedback/Spinner.svelte

@@ -1,5 +1,7 @@
-<script lang="ts">let { text, ...rest } = $props();
-export {};
+<script lang="ts">
+  import type { HTMLAttributes } from 'svelte/elements'
+
+  let { text, ...rest }: { text?: string } & HTMLAttributes<HTMLDivElement> = $props()
 </script>
 
 <div class="spinner" role="status" aria-live="polite" aria-busy="true" {...rest}>

package/dist/feedback/StatusMessage.svelte

@@ -1,5 +1,11 @@
-<script lang="ts">let { message = $bindable(), type = `info`, dismissible = false, ...rest } = $props();
-export {};
+<script lang="ts">
+  import type { HTMLAttributes } from 'svelte/elements'
+
+  let { message = $bindable(), type = `info`, dismissible = false, ...rest }: {
+    message?: string
+    type?: `info` | `error` | `warning`
+    dismissible?: boolean
+  } & HTMLAttributes<HTMLDivElement> = $props()
 </script>
 
 {#if message}

package/dist/fermi-surface/FermiSlice.svelte

@@ -1,103 +1,133 @@
-<script lang="ts">import { ScatterPlot } from '../plot';
-import { SvelteSet } from 'svelte/reactivity';
-import { compute_fermi_slice } from './compute';
-import { BAND_COLORS } from './constants';
-let { fermi_data, miller_indices = [0, 0, 1], distance = 0, line_width = 2, show_axes = true, axis_labels, band_colors = BAND_COLORS, show_legend = true, on_error, children, ...rest } = $props();
-let wrapper = $state(undefined);
-let hidden_bands = new SvelteSet();
-// Compute axis labels from Miller indices (subscript z doesn't exist in Unicode)
-let labels = $derived.by(() => {
-    if (axis_labels)
-        return axis_labels;
-    const K = [`kₓ`, `kᵧ`, `kz`];
-    const zeros = miller_indices.flatMap((val, idx) => (val === 0 ? [idx] : []));
-    if (zeros.length === 2)
-        return [K[zeros[0]], K[zeros[1]]];
-    if (zeros.length === 1)
-        return [`k⊥`, K[zeros[0]]];
-    return [`k₁`, `k₂`];
-});
-// Compute slice with error handling
-let slice_data = $state(null);
-$effect(() => {
+<script lang="ts">
+  import type { Vec3 } from '../math'
+  import type { DataSeries } from '../plot'
+  import { ScatterPlot } from '../plot'
+  import type { Snippet } from 'svelte'
+  import type { HTMLAttributes } from 'svelte/elements'
+  import { SvelteSet } from 'svelte/reactivity'
+  import { compute_fermi_slice } from './compute'
+  import { BAND_COLORS } from './constants'
+  import type { FermiSliceData, FermiSurfaceData } from './types'
+
+  let {
+    fermi_data,
+    miller_indices = [0, 0, 1],
+    distance = 0,
+    line_width = 2,
+    show_axes = true,
+    axis_labels,
+    band_colors = BAND_COLORS,
+    show_legend = true,
+    on_error,
+    children,
+    ...rest
+  }: {
+    fermi_data?: FermiSurfaceData
+    miller_indices?: Vec3
+    distance?: number
+    line_width?: number
+    show_axes?: boolean
+    axis_labels?: [string, string]
+    band_colors?: readonly string[]
+    show_legend?: boolean
+    on_error?: (error: Error) => void
+    children?: Snippet<
+      [{ slice_data: FermiSliceData | null; export_svg: () => string | null }]
+    >
+  } & HTMLAttributes<HTMLDivElement> = $props()
+
+  let wrapper = $state<HTMLDivElement | undefined>(undefined)
+  let hidden_bands = new SvelteSet<number>()
+
+  // Compute axis labels from Miller indices (subscript z doesn't exist in Unicode)
+  let labels = $derived.by((): [string, string] => {
+    if (axis_labels) return axis_labels
+    const K = [`kₓ`, `kᵧ`, `kz`] as const
+    const zeros = miller_indices.flatMap((val, idx) => (val === 0 ? [idx] : []))
+    if (zeros.length === 2) return [K[zeros[0]], K[zeros[1]]]
+    if (zeros.length === 1) return [`k⊥`, K[zeros[0]]]
+    return [`k₁`, `k₂`]
+  })
+
+  // Compute slice with error handling
+  let slice_data = $state<FermiSliceData | null>(null)
+  $effect(() => {
     if (!fermi_data) {
-        slice_data = null;
-        return;
+      slice_data = null
+      return
     }
     try {
-        slice_data = compute_fermi_slice(fermi_data, { miller_indices, distance });
+      slice_data = compute_fermi_slice(fermi_data, { miller_indices, distance })
+    } catch (err) {
+      slice_data = null
+      on_error?.(err instanceof Error ? err : new Error(String(err)))
     }
-    catch (err) {
-        slice_data = null;
-        on_error?.(err instanceof Error ? err : new Error(String(err)));
-    }
-});
-// Transform isolines to ScatterPlot series
-let series = $derived(slice_data?.isolines.map((iso, idx) => ({
-    id: `iso-${iso.band_index}-${idx}`,
-    x: iso.points_2d.map((pt) => pt[0]),
-    y: iso.points_2d.map((pt) => pt[1]),
-    markers: `line`,
-    visible: !hidden_bands.has(iso.band_index),
-    label: `Band ${iso.band_index + 1}`,
-    line_style: {
+  })
+
+  // Transform isolines to ScatterPlot series
+  let series: DataSeries[] = $derived(
+    slice_data?.isolines.map((iso, idx) => ({
+      id: `iso-${iso.band_index}-${idx}`,
+      x: iso.points_2d.map((pt) => pt[0]),
+      y: iso.points_2d.map((pt) => pt[1]),
+      markers: `line` as const,
+      visible: !hidden_bands.has(iso.band_index),
+      label: `Band ${iso.band_index + 1}`,
+      line_style: {
         stroke: band_colors[iso.band_index % band_colors.length],
         stroke_width: line_width,
-    },
-})) ?? []);
-// Compute padded data bounds (single-pass to avoid stack overflow on large arrays)
-let bounds = $derived.by(() => {
-    const isolines = slice_data?.isolines;
-    if (!isolines?.length)
-        return { min: [-1, -1], max: [1, 1] };
-    let xmin = Infinity, xmax = -Infinity, ymin = Infinity, ymax = -Infinity;
+      },
+    })) ?? [],
+  )
+
+  // Compute padded data bounds (single-pass to avoid stack overflow on large arrays)
+  let bounds = $derived.by(() => {
+    const isolines = slice_data?.isolines
+    if (!isolines?.length) return { min: [-1, -1], max: [1, 1] }
+
+    let xmin = Infinity, xmax = -Infinity, ymin = Infinity, ymax = -Infinity
     for (const iso of isolines) {
-        for (const pt of iso.points_2d) {
-            if (pt[0] < xmin)
-                xmin = pt[0];
-            if (pt[0] > xmax)
-                xmax = pt[0];
-            if (pt[1] < ymin)
-                ymin = pt[1];
-            if (pt[1] > ymax)
-                ymax = pt[1];
-        }
+      for (const pt of iso.points_2d) {
+        if (pt[0] < xmin) xmin = pt[0]
+        if (pt[0] > xmax) xmax = pt[0]
+        if (pt[1] < ymin) ymin = pt[1]
+        if (pt[1] > ymax) ymax = pt[1]
+      }
     }
-    if (!isFinite(xmin))
-        return { min: [-1, -1], max: [1, 1] };
-    const pad = 0.1, rx = xmax - xmin || 1, ry = ymax - ymin || 1;
+    if (!isFinite(xmin)) return { min: [-1, -1], max: [1, 1] }
+
+    const pad = 0.1, rx = xmax - xmin || 1, ry = ymax - ymin || 1
     return {
-        min: [xmin - rx * pad, ymin - ry * pad],
-        max: [xmax + rx * pad, ymax + ry * pad],
-    };
-});
-function toggle_band(series_idx) {
-    const band = slice_data?.isolines[series_idx]?.band_index;
-    if (band === undefined)
-        return;
-    if (hidden_bands.has(band))
-        hidden_bands.delete(band);
-    else
-        hidden_bands.add(band);
-}
-function isolate_band(series_idx) {
-    const band = slice_data?.isolines[series_idx]?.band_index;
-    if (band === undefined)
-        return;
+      min: [xmin - rx * pad, ymin - ry * pad],
+      max: [xmax + rx * pad, ymax + ry * pad],
+    }
+  })
+
+  function toggle_band(series_idx: number) {
+    const band = slice_data?.isolines[series_idx]?.band_index
+    if (band === undefined) return
+    if (hidden_bands.has(band)) hidden_bands.delete(band)
+    else hidden_bands.add(band)
+  }
+
+  function isolate_band(series_idx: number) {
+    const band = slice_data?.isolines[series_idx]?.band_index
+    if (band === undefined) return
     const all_bands = [
-        ...new Set(slice_data?.isolines.map((iso) => iso.band_index) ?? []),
-    ];
-    const is_solo = all_bands.every((b) => b === band || hidden_bands.has(b));
-    hidden_bands.clear();
+      ...new Set(slice_data?.isolines.map((iso) => iso.band_index) ?? []),
+    ]
+    const is_solo = all_bands.every((bid) => bid === band || hidden_bands.has(bid))
+    hidden_bands.clear()
     if (!is_solo) {
-        for (const b of all_bands) {
-            if (b !== band)
-                hidden_bands.add(b);
-        }
+      for (const bid of all_bands) {
+        if (bid !== band) hidden_bands.add(bid)
+      }
     }
-}
-// Returns null if SVG not found, making export failures explicit
-const export_svg = () => wrapper?.querySelector(`svg`)?.outerHTML ?? null;
+  }
+
+  // Returns null if SVG not found, making export failures explicit
+  const export_svg = (): string | null =>
+    wrapper?.querySelector(`svg`)?.outerHTML ?? null
 </script>
 
 <ScatterPlot