matterviz 0.3.7 → 0.4.0

package/dist/Icon.svelte

@@ -1,7 +1,6 @@
 <script lang="ts">
   import type { SVGAttributes } from 'svelte/elements'
   import { ICON_DATA, type IconName } from './icons'
-  import { sanitize_icon_svg } from './sanitize'
 
   type IconData = { path: string; viewBox: string; stroke?: string }
   let { icon, path, viewBox = `0 0 24 24`, stroke, ...rest }:
@@ -10,11 +9,15 @@
     & SVGAttributes<SVGSVGElement> = $props()
 
   const data: IconData = $derived.by(() => {
-    if (path) return { path, viewBox: viewBox ?? `0 0 24 24`, stroke }
+    if (path) return { path, viewBox, stroke }
     if (icon && icon in ICON_DATA) return ICON_DATA[icon]
     if (icon) console.error(`Icon '${icon}' not found`)
     return ICON_DATA.Alert
   })
+
+  // {@html} only ever gets trusted ICON_DATA, never the user `path` prop (which renders as an
+  // escaped <path d> below) — so no XSS via path and identical SSR/CSR output (no hydration mismatch)
+  const icon_markup = $derived(!path && data.path.trim().startsWith(`<`) ? data.path : null)
 </script>
 
 <svg
@@ -24,8 +27,8 @@
   viewBox={data.viewBox}
   {...rest}
 >
-  {#if data.path.trim().startsWith(`<`)}
-    {@html sanitize_icon_svg(data.path)}
+  {#if icon_markup != null}
+    {@html icon_markup}
   {:else}
     <path d={data.path} />
   {/if}

package/dist/MillerIndexInput.svelte

@@ -19,7 +19,7 @@
       if (nums.every((num) => !isNaN(num))) return nums as Vec3
     }
     // Fall back to compact single-digit format: "001", "-101"
-    const compact = input.replace(/\s+/g, ``)
+    const compact = input.replaceAll(/\s+/g, ``)
     const match = compact.match(/^(-?\d)(-?\d)(-?\d)$/)
     if (match) return [Number(match[1]), Number(match[2]), Number(match[3])] as Vec3
     return null

package/dist/api/optimade.js

@@ -1,34 +1,41 @@
 // OPTIMADE API utilities for fetching structure data
 // Based on OPTIMADE 1.2.0 specification
-// Multiple CORS proxies for fallback reliability
+// CORS proxies for fallback reliability. Query-style proxies need the target URL
+// percent-encoded; path-suffix proxies need it verbatim (encoded can never succeed).
 const CORS_PROXIES = [
-    `https://corsproxy.io/?`,
-    `https://api.allorigins.win/raw?url=`,
-    `https://cors-anywhere.herokuapp.com/`,
-    `https://thingproxy.freeboard.io/fetch/`,
-    `https://cors.bridged.cc/`,
+    { prefix: `https://corsproxy.io/?`, encode: true },
+    { prefix: `https://api.allorigins.win/raw?url=`, encode: true },
+    { prefix: `https://cors-anywhere.herokuapp.com/`, encode: false },
+    { prefix: `https://thingproxy.freeboard.io/fetch/`, encode: false },
+    { prefix: `https://cors.bridged.cc/`, encode: false },
 ];
 let cached_providers = null;
 let providers_cache_time = 0;
 const CACHE_DURATION = 5 * 60 * 1000;
+// Per-key timestamps: a shared one would let any resolution refresh every entry's TTL
 const resolved_provider_urls = {};
-let resolved_urls_cache_time = 0;
 const RESOLVED_URLS_CACHE_DURATION = 10 * 60 * 1000;
 async function fetch_with_cors_proxy(url) {
+    const headers = { Accept: `application/vnd.api+json`, 'User-Agent': `MatterViz/1.0` };
+    let direct;
     try {
-        const direct_response = await fetch(url, {
-            headers: { Accept: `application/vnd.api+json`, 'User-Agent': `MatterViz/1.0` },
-        });
-        if (direct_response.ok)
-            return direct_response;
+        direct = await fetch(url, { headers });
     }
     catch {
-        // Direct access failed, will try CORS proxies
+        // No response at all (network/CORS failure) — fall back to CORS proxies below
     }
-    for (const proxy of CORS_PROXIES) {
+    // A returned response means CORS succeeded. Surface a definitive HTTP error status
+    // directly (rather than masking a 404/500 behind callers' JSON.parse or the proxy
+    // fallback); only a thrown fetch (no response) warrants the proxies.
+    if (direct) {
+        if (direct.ok)
+            return direct;
+        throw new Error(`Request failed: ${direct.status} ${direct.statusText} for ${url}`);
+    }
+    for (const { prefix, encode } of CORS_PROXIES) {
         try {
-            const response = await fetch(`${proxy}${encodeURIComponent(url)}`, {
-                headers: { Accept: `application/vnd.api+json`, 'User-Agent': `MatterViz/1.0` },
+            const response = await fetch(`${prefix}${encode ? encodeURIComponent(url) : url}`, {
+                headers,
             });
             if (response.ok)
                 return response;
@@ -41,9 +48,9 @@ async function fetch_with_cors_proxy(url) {
 }
 async function resolve_provider_url(provider_base_url) {
     const now = Date.now();
-    if (resolved_provider_urls[provider_base_url] &&
-        now - resolved_urls_cache_time < RESOLVED_URLS_CACHE_DURATION) {
-        return resolved_provider_urls[provider_base_url];
+    const cached = resolved_provider_urls[provider_base_url];
+    if (cached && now - cached.time < RESOLVED_URLS_CACHE_DURATION) {
+        return cached.url;
     }
     for (const endpoint of [`/links`, `/v1/links`]) {
         try {
@@ -52,18 +59,17 @@ async function resolve_provider_url(provider_base_url) {
             const self_link = data.data?.find((link) => link.type === `links` &&
                 link.attributes?.base_url &&
                 link.attributes.link_type === `child`);
-            if (self_link?.attributes.base_url) {
-                resolved_provider_urls[provider_base_url] = self_link.attributes.base_url;
-                resolved_urls_cache_time = now;
-                return self_link.attributes.base_url;
+            const url = self_link?.attributes.base_url;
+            if (url) {
+                resolved_provider_urls[provider_base_url] = { url, time: now };
+                return url;
             }
         }
         catch {
             // Try next endpoint
         }
     }
-    resolved_provider_urls[provider_base_url] = provider_base_url;
-    resolved_urls_cache_time = now;
+    resolved_provider_urls[provider_base_url] = { url: provider_base_url, time: now };
     return provider_base_url;
 }
 export async function fetch_optimade_providers() {
@@ -97,7 +103,7 @@ export async function fetch_optimade_providers() {
     }
 }
 // URL encode/decode utilities for structure IDs with special characters
-export const encode_structure_id = (id) => encodeURIComponent(id).replace(/\./g, `%2E`).replace(/\//g, `%2F`);
+export const encode_structure_id = (id) => encodeURIComponent(id).replaceAll('.', `%2E`).replaceAll('/', `%2F`);
 export const decode_structure_id = (encoded_id) => decodeURIComponent(encoded_id);
 export function detect_provider_from_slug(slug, providers) {
     const decoded_slug = decode_structure_id(slug);

package/dist/app.css

@@ -1,6 +1,3 @@
-/* Starry-night syntax highlighting (GitHub-style, auto light/dark) */
-@import '@wooorm/starry-night/style/both';
-
 /* CSS variables are unlayered so they're available to both layers and to
    components that reference them via var(). Custom properties inherit
    naturally regardless of layer ordering. */

package/dist/brillouin/BrillouinZone.svelte

@@ -29,6 +29,7 @@
     extract_point_group_from_operations,
     reciprocal_lattice,
   } from './compute'
+  import { to_error } from '../utils'
   import type {
     BrillouinZoneData,
     BZHoverData,
@@ -83,6 +84,7 @@
     k_path_labels = [],
     hovered_k_point = null,
     hovered_qpoint_index = null,
+    on_kpath_hover,
     children,
     tooltip_config,
     on_file_load,
@@ -144,6 +146,8 @@
       hovered_k_point?: Vec3 | null
       // Index of the currently hovered q-point in the band structure
       hovered_qpoint_index?: number | null
+      // Called with the q-point index when the user hovers the k-path in the BZ (null on leave)
+      on_kpath_hover?: (qpoint_index: number | null) => void
       children?: Snippet<
         [{ structure?: Crystal; bz_data?: BrillouinZoneData }]
       >
@@ -189,7 +193,7 @@
       parse_structure(content, filename)
     } catch (err) {
       error_msg = `Failed to parse ${filename}: ${
-        err instanceof Error ? err.message : err
+        to_error(err).message
       }`
       on_error?.({ error_msg, filename })
     }
@@ -211,7 +215,7 @@
       const valid_order = Math.min(Math.max(1, bz_order), 3) as 1 | 2 | 3
       bz_data = compute_brillouin_zone(k_lattice, valid_order)
     } catch (err) {
-      const msg = err instanceof Error ? err.message : String(err)
+      const msg = to_error(err).message
       error_msg = `BZ computation failed: ${msg}`
       bz_data = undefined
       untrack(() => on_error?.({ error_msg, structure, bz_order }))
@@ -250,7 +254,7 @@
   // Load structure from URL or string
   $effect(() => {
     const handle_error = (err: unknown, source: string) => {
-      error_msg = err instanceof Error ? err.message : String(err)
+      error_msg = to_error(err).message
       on_error?.({ error_msg, filename: source })
     }
 
@@ -430,6 +434,7 @@
             {k_path_labels}
             {hovered_k_point}
             {hovered_qpoint_index}
+            {on_kpath_hover}
             {show_ibz}
             {ibz_data}
             {ibz_color}

package/dist/brillouin/BrillouinZone.svelte.d.ts

@@ -66,6 +66,7 @@ type $$ComponentProps = {
     }[];
     hovered_k_point?: Vec3 | null;
     hovered_qpoint_index?: number | null;
+    on_kpath_hover?: (qpoint_index: number | null) => void;
     children?: Snippet<[
         {
             structure?: Crystal;
@@ -78,6 +79,6 @@ type $$ComponentProps = {
     on_fullscreen_change?: (data: BZHandlerData) => void;
     on_hover?: (data: BZHoverData | null) => void;
 } & HTMLAttributes<HTMLDivElement>;
-declare const BrillouinZone: import("svelte").Component<$$ComponentProps, {}, "structure" | "height" | "width" | "dragover" | "loading" | "fullscreen" | "hovered" | "controls_open" | "camera_projection" | "vector_scale" | "info_pane_open" | "wrapper" | "png_dpi" | "error_msg" | "bz_order" | "surface_color" | "surface_opacity" | "edge_color" | "edge_width" | "show_vectors" | "show_ibz" | "ibz_color" | "ibz_opacity" | "bz_data" | "ibz_data">;
+declare const BrillouinZone: import("svelte").Component<$$ComponentProps, {}, "structure" | "dragover" | "height" | "width" | "fullscreen" | "hovered" | "controls_open" | "loading" | "png_dpi" | "camera_projection" | "vector_scale" | "info_pane_open" | "wrapper" | "error_msg" | "bz_order" | "surface_color" | "surface_opacity" | "edge_color" | "edge_width" | "show_vectors" | "show_ibz" | "ibz_color" | "ibz_opacity" | "bz_data" | "ibz_data">;
 type BrillouinZone = ReturnType<typeof BrillouinZone>;
 export default BrillouinZone;

package/dist/brillouin/BrillouinZoneScene.svelte

@@ -51,6 +51,7 @@
     hovered_k_point = null,
     hovered_qpoint_index = null,
     hover_data = $bindable<BZHoverData | null>(null),
+    on_kpath_hover,
   }: {
     bz_data?: BrillouinZoneData
     camera_position?: Vec3 | undefined
@@ -87,6 +88,7 @@
     hovered_k_point?: Vec3 | null
     hovered_qpoint_index?: number | null
     hover_data?: BZHoverData | null
+    on_kpath_hover?: (qpoint_index: number | null) => void
   } = $props()
 
   const threlte = useThrelte()
@@ -167,6 +169,23 @@
   const vector_colors = [`red`, `green`, `blue`]
   const vector_labels = [`b₁`, `b₂`, `b₃`]
 
+  // K-path styling. The invisible hover proxy is twice the visible thickness so the cursor
+  // snaps to the path even when it isn't directly over the thin visible segment.
+  const KPATH_THICKNESS = 0.12
+  const KPATH_HOVER_THICKNESS = KPATH_THICKNESS * 2
+
+  // Threshold for skipping k-path segments that bridge a path discontinuity (e.g. `U|K`).
+  // Band paths are densely sampled, so legit segments are tiny; a discontinuity jumps by
+  // a fraction of the zone. Skip segments far longer than the median sampling step.
+  const k_path_seg_cutoff = $derived.by(() => {
+    if (!k_path_points || k_path_points.length < 3) return Infinity
+    const lens = k_path_points
+      .slice(1)
+      .map((pt, idx) => Math.hypot(...math.subtract(pt as Vec3, k_path_points[idx] as Vec3)))
+      .sort((len_a, len_b) => len_a - len_b)
+    return lens[Math.floor(lens.length / 2)] * 10
+  })
+
   // Create mesh geometry from faces with fan triangulation
   function create_mesh_geometry(
     vertices: Vec3[],
@@ -311,6 +330,16 @@
     if (is_ibz) ibz_hovered = false
     if (is_ibz || !ibz_hovered) hover_data = null
   }
+
+  // K-path hover: report the nearer endpoint's q-point index of the hovered segment
+  function handle_kpath_hover(event: ThreltePointerEvent, seg_idx: number): void {
+    const { point } = event
+    const [from, to] = [k_path_points[seg_idx], k_path_points[seg_idx + 1]]
+    if (!from || !to) return
+    const dist_sq = (pt: Vec3) =>
+      (point.x - pt[0]) ** 2 + (point.y - pt[1]) ** 2 + (point.z - pt[2]) ** 2
+    on_kpath_hover?.(dist_sq(from) <= dist_sq(to) ? seg_idx : seg_idx + 1)
+  }
 </script>
 
 {#if camera_projection === `perspective`}
@@ -395,6 +424,9 @@
           vector={scaled_vec}
           color={vector_colors[idx]}
           scale={1}
+          shaft_radius={bz_size * 0.008}
+          arrow_head_radius={bz_size * 0.028}
+          arrow_head_length={-0.1}
         />
         <!-- Vector label beyond tip -->
         <extras.HTML center position={label_position}>
@@ -416,14 +448,28 @@
         (`${from_point}-${k_path_points[idx + 1]}#${idx}`)
       }
         {@const to_point = k_path_points[idx + 1]}
+        {@const seg_len = Math.hypot(
+      ...math.subtract(to_point as Vec3, from_point as Vec3),
+    )}
         {@const is_hovered = hovered_qpoint_index !== null &&
       (idx === hovered_qpoint_index || idx === hovered_qpoint_index - 1)}
-        <Cylinder
-          from={from_point as Vec3}
-          to={to_point as Vec3}
-          thickness={0.08}
-          color={is_hovered ? `#ff6b35` : `#ffcc00`}
-        />
+        {#if seg_len <= k_path_seg_cutoff}
+          <Cylinder
+            from={from_point as Vec3}
+            to={to_point as Vec3}
+            thickness={KPATH_THICKNESS}
+            color={is_hovered ? `#ff6b35` : `#ffcc00`}
+          />
+          <!-- Invisible wider proxy: lets the cursor snap to the path within ~2× its radius -->
+          <Cylinder
+            from={from_point as Vec3}
+            to={to_point as Vec3}
+            thickness={KPATH_HOVER_THICKNESS}
+            opacity={0}
+            onpointermove={(event: ThreltePointerEvent) => handle_kpath_hover(event, idx)}
+            onpointerleave={() => on_kpath_hover?.(null)}
+          />
+        {/if}
       {/each}
     {/if}
 

package/dist/brillouin/BrillouinZoneScene.svelte.d.ts

@@ -42,6 +42,7 @@ type $$ComponentProps = {
     hovered_k_point?: Vec3 | null;
     hovered_qpoint_index?: number | null;
     hover_data?: BZHoverData | null;
+    on_kpath_hover?: (qpoint_index: number | null) => void;
 };
 declare const BrillouinZoneScene: import("svelte").Component<$$ComponentProps, {}, "camera_position" | "camera_projection" | "vector_scale" | "camera" | "scene" | "camera_is_moving" | "surface_color" | "surface_opacity" | "edge_color" | "edge_width" | "show_vectors" | "bz_data" | "hover_data">;
 type BrillouinZoneScene = ReturnType<typeof BrillouinZoneScene>;

package/dist/brillouin/BrillouinZoneTooltip.svelte

@@ -1,8 +1,8 @@
 <script lang="ts">
   // Tooltip component for Brillouin zone hover information
   // Displays k-coordinates, BZ order, volume, and IBZ-specific info
-  import { format_num, format_vec3 } from '../labels'
-  import { TooltipContent } from '../tooltip'
+  import { format_num } from '../labels'
+  import { KCoords, TooltipContent } from '../tooltip'
   import type { BZHoverData, BZTooltipProp } from './types'
 
   let {
@@ -19,33 +19,26 @@
 
 <TooltipContent data={hover_data} snippet_arg={{ hover_data }} {tooltip}>
   <div class="bz-tooltip-content">
-    <div class="bz-tooltip-title">
-      <strong>{hover_data.is_ibz ? `Irreducible BZ` : `Brillouin Zone`}</strong>
-      {#if hover_data.bz_order > 1}
-        <span class="bz-tooltip-badge">{ordinal(hover_data.bz_order)}</span>
-      {/if}
-    </div>
-    <div class="bz-tooltip-row">
-      <span class="bz-tooltip-label">k (Å⁻¹):</span>
-      <span class="bz-tooltip-value">{format_vec3(hover_data.position_cartesian)}</span>
-    </div>
-    {#if hover_data.position_fractional}
-      <div class="bz-tooltip-row">
-        <span class="bz-tooltip-label">k (frac):</span>
-        <span class="bz-tooltip-value">{
-          format_vec3(hover_data.position_fractional)
-        }</span>
+    {#if hover_data.is_ibz || hover_data.bz_order > 1}
+      <div class="bz-tooltip-title">
+        {#if hover_data.is_ibz}<strong>Irreducible BZ</strong>{/if}
+        {#if hover_data.bz_order > 1}
+          <span class="bz-tooltip-badge">{ordinal(hover_data.bz_order)}</span>
+        {/if}
       </div>
     {/if}
+    <KCoords
+      cartesian={hover_data.position_cartesian}
+      fractional={hover_data.position_fractional}
+    />
     <div class="bz-tooltip-row">
       <span class="bz-tooltip-label">BZ Volume:</span>
-      <span class="bz-tooltip-value">{format_num(hover_data.bz_volume, `.4~`)} Å⁻³</span>
+      <span>{format_num(hover_data.bz_volume, `.4~`)} Å⁻³</span>
     </div>
     {#if hover_data.is_ibz && hover_data.ibz_volume != null}
       <div class="bz-tooltip-row">
         <span class="bz-tooltip-label">IBZ Volume:</span>
-        <span class="bz-tooltip-value">{format_num(hover_data.ibz_volume, `.4~`)}
-          Å⁻³</span>
+        <span>{format_num(hover_data.ibz_volume, `.4~`)} Å⁻³</span>
       </div>
       {#if hover_data.symmetry_multiplicity != null}
         <div class="bz-tooltip-symmetry">
@@ -59,7 +52,6 @@
 <style>
   .bz-tooltip-content {
     max-width: var(--bz-tooltip-max-width, 250px);
-    text-align: left;
   }
   .bz-tooltip-title {
     margin-bottom: 4px;
@@ -71,6 +63,8 @@
     font-weight: 500;
     background: #666;
     color: white;
+  }
+  .bz-tooltip-badge:not(:first-child) {
     margin-left: 6px;
   }
   .bz-tooltip-row {
@@ -81,9 +75,6 @@
     opacity: 0.8;
     min-width: 75px;
   }
-  .bz-tooltip-value {
-    font-family: monospace;
-  }
   .bz-tooltip-symmetry {
     margin-top: 2px;
     opacity: 0.8;

package/dist/brillouin/compute.js

@@ -20,7 +20,8 @@ export function extract_point_group_from_operations(operations) {
         if (seen.has(key))
             continue;
         seen.add(key);
-        const rot = math.vec9_to_mat3x3(Array.from(rotation));
+        // moyo serializes rotations COLUMN-major; vec9_to_mat3x3 reads row-major → transpose to get W
+        const rot = math.transpose_3x3_matrix(math.vec9_to_mat3x3(Array.from(rotation)));
         unique_rotations.push(rot);
     }
     return unique_rotations;
@@ -39,20 +40,15 @@ function mat3x3_multiply(A, B) {
     }
     return result;
 }
-// Convert fractional-coordinate rotation W to Cartesian k-space rotation.
-// In reciprocal space: R_cart = B · W^{-T} · B^{-1}, where B is the k_lattice
-// and W^{-T} is the inverse transpose of the direct-space rotation matrix.
-// This follows the dual-basis relation: if direct fractional rotation is x' = W·x,
-// then reciprocal fractional rotation is q' = W^{-T}·q. For non-orthogonal lattices
-// (monoclinic, triclinic, hexagonal), W^{-1} ≠ W^T since integer rotation matrices
-// are not orthogonal in these systems.
+// Convert fractional rotation W to Cartesian k-space rotation. k_lattice stores reciprocal
+// vectors as ROWS (k_cart = Bᵀ·q) and reciprocal fractional rotation is q' = W^{-T}·q, so
+// R_cart = Bᵀ·W^{-T}·B^{-T}. For non-orthogonal lattices W^{-1} ≠ Wᵀ, so the transpose matters.
 export function fractional_to_cartesian_rotation(W, k_lattice) {
     try {
-        const k_lattice_inv = math.matrix_inverse_3x3(k_lattice);
-        const W_inv = math.matrix_inverse_3x3(W);
-        const W_inv_T = math.transpose_3x3_matrix(W_inv);
-        // R_cart = B · W^{-T} · B^{-1}
-        return mat3x3_multiply(mat3x3_multiply(k_lattice, W_inv_T), k_lattice_inv);
+        const B_T = math.transpose_3x3_matrix(k_lattice);
+        const W_inv_T = math.transpose_3x3_matrix(math.matrix_inverse_3x3(W));
+        // R_cart = Bᵀ · W^{-T} · B^{-T}
+        return mat3x3_multiply(mat3x3_multiply(B_T, W_inv_T), math.matrix_inverse_3x3(B_T));
     }
     catch {
         // Fallback to identity if inversion fails (shouldn't happen for valid rotations)
@@ -382,7 +378,7 @@ function try_build_hull(vertices, edge_sharp_angle_deg) {
 // Compute the irreducible Brillouin zone by clipping the full BZ with symmetry planes
 export function compute_irreducible_bz(bz_data, point_group_ops, edge_sharp_angle_deg = 5) {
     // Convert fractional rotations to Cartesian k-space rotations
-    // R_cart = B · W^{-T} · B^{-1}, where B is k_lattice and W^{-T} is inverse-transpose
+    // R_cart = Bᵀ · W^{-T} · B^{-T}, where B is k_lattice (reciprocal vectors as rows)
     const cartesian_ops = point_group_ops.map((W) => fractional_to_cartesian_rotation(W, bz_data.k_lattice));
     const clipping_planes = compute_ibz_clipping_planes(cartesian_ops);
     if (clipping_planes.length === 0) {

package/dist/chempot-diagram/ChemPotDiagram.svelte

@@ -1,20 +1,21 @@
 <script lang="ts">
-  import { get_electro_neg_formula } from '../composition/format';
-  import type { PhaseData } from '../convex-hull/types';
-  import Spinner from '../feedback/Spinner.svelte';
-  import { format_num } from '../labels';
-  import { constrain_tooltip_position } from '../plot/layout';
-  import { sanitize_html } from '../sanitize';
-  import { compute_chempot_async } from './async-compute.svelte';
-  import ChemPotDiagram2D from './ChemPotDiagram2D.svelte';
-  import ChemPotDiagram3D from './ChemPotDiagram3D.svelte';
-  import { get_ternary_combinations } from './compute';
+  import { get_electro_neg_formula } from '../composition/format'
+  import type { PhaseData } from '../convex-hull/types'
+  import Spinner from '../feedback/Spinner.svelte'
+  import { format_num } from '../labels'
+  import { constrain_tooltip_position } from '../plot/core/layout'
+  import { sanitize_html } from '../sanitize'
+  import { compute_chempot_async } from './async-compute.svelte'
+  import ChemPotDiagram2D from './ChemPotDiagram2D.svelte'
+  import ChemPotDiagram3D from './ChemPotDiagram3D.svelte'
+  import { get_ternary_combinations } from './compute'
   import type {
       ChemPotDiagramConfig,
       ChemPotHoverInfo,
       ChemPotHoverInfo3D,
-  } from './types';
-  import { CHEMPOT_DEFAULTS } from './types';
+  } from './types'
+  import { CHEMPOT_DEFAULTS } from './types'
+  import { to_error } from '../utils'
 
   let {
     entries = [],
@@ -84,7 +85,7 @@
       .catch((err) => {
         if (cancelled) return
         console.error(`Grid precompute failed:`, err)
-        grid_error = err instanceof Error ? err.message : String(err)
+        grid_error = to_error(err).message
       })
     return () => { cancelled = true }
   })

package/dist/chempot-diagram/ChemPotDiagram2D.svelte

@@ -9,8 +9,8 @@
   import { download } from '../io/fetch'
   import DraggablePane from '../overlays/DraggablePane.svelte'
   import { ColorBar, ScatterPlot } from '../plot'
-  import { constrain_tooltip_position } from '../plot/layout'
-  import type { DataSeries, UserContentProps } from '../plot/types'
+  import { constrain_tooltip_position } from '../plot/core/layout'
+  import type { DataSeries, UserContentProps } from '../plot/core/types'
   import { sanitize_html } from '../sanitize'
   import { onDestroy } from 'svelte'
   import { SvelteMap } from 'svelte/reactivity'
@@ -28,7 +28,12 @@
   } from './compute'
   import { with_hover_pointer } from './pointer'
   import { get_temp_filter_payload, get_valid_temperature } from './temperature'
-  import type { ChemPotDiagramConfig, ChemPotDiagramData, ChemPotHoverInfo } from './types'
+  import type {
+    ChemPotColorMode,
+    ChemPotDiagramConfig,
+    ChemPotDiagramData,
+    ChemPotHoverInfo,
+  } from './types'
   import { CHEMPOT_DEFAULTS } from './types'
 
   let {
@@ -78,11 +83,7 @@
     default_min_limit_override ??
       (config.default_min_limit ?? CHEMPOT_DEFAULTS.default_min_limit),
   )
-  let color_mode_override = $state<
-    NonNullable<ChemPotDiagramConfig[`color_mode`]> | null
-  >(
-    null,
-  )
+  let color_mode_override = $state<ChemPotColorMode | null>(null)
   let color_scale_override = $state<D3InterpolateName | null>(null)
   let reverse_color_scale_override = $state<boolean | null>(null)
   const color_mode = $derived(
@@ -199,10 +200,7 @@
     matching_entry_count: number
     min_energy_per_atom: number | null
   }
-  type NumericColorMode = Exclude<
-    NonNullable<ChemPotDiagramConfig[`color_mode`]>,
-    `none` | `arity`
-  >
+  type NumericColorMode = Exclude<ChemPotColorMode, `none` | `arity`>
 
   const raw_el_refs = $derived(
     get_min_entries_and_el_refs(temp_filtered_entries).el_refs,
@@ -436,8 +434,8 @@
   const get_svg_element = (): SVGSVGElement | null =>
     scatter_wrapper?.querySelector<SVGSVGElement>(`svg`) ?? null
 
-  function get_json_string(): string {
-    return JSON.stringify(
+  const get_json_string = (): string =>
+    JSON.stringify(
       {
         elements: diagram_data?.elements ?? [],
         domains: draw_domains,
@@ -446,7 +444,6 @@
       null,
       2,
     )
-  }
 
   function export_json_file(): void {
     download(

package/dist/chempot-diagram/ChemPotDiagram3D.svelte

@@ -14,7 +14,7 @@
     convex_hull_2d,
     cross_3d,
     merge_coplanar_triangles,
-    normalize_vec3,
+    normalize_vec,
   } from '../math'
   import DraggablePane from '../overlays/DraggablePane.svelte'
   import { ColorBar, ScatterPlot3DControls } from '../plot'
@@ -22,13 +22,13 @@
     constrain_tooltip_position,
     pad_rect,
     rects_overlap,
-  } from '../plot/layout'
+  } from '../plot/core/layout'
   import type {
     AxisConfig3D,
     CameraProjection3D,
     DataSeries3D,
     DisplayConfig3D,
-  } from '../plot/types'
+  } from '../plot/core/types'
   import { Canvas, T } from '@threlte/core'
   import * as extras from '@threlte/extras'
   import { scaleLinear } from 'd3-scale'
@@ -953,7 +953,7 @@
           pos.getY(base + 2) - pos.getY(base),
           pos.getZ(base + 2) - pos.getZ(base),
         ]
-        normals.push(normalize_vec3(cross_3d(e1, e2)))
+        normals.push(normalize_vec(cross_3d(e1, e2)))
       }
       // Build edge → face adjacency
       const edge_faces = new SvelteMap<string, number[]>()
@@ -2017,14 +2017,13 @@
     }, `image/png`)
   }
 
-  function xml_escape(text: string): string {
-    return text
+  const xml_escape = (text: string): string =>
+    text
       .replaceAll(`&`, `&amp;`)
       .replaceAll(`<`, `&lt;`)
       .replaceAll(`>`, `&gt;`)
       .replaceAll(`"`, `&quot;`)
       .replaceAll(`'`, `&#39;`)
-  }
 
   function export_svg_file(): void {
     if (!wrapper) return
@@ -2128,8 +2127,8 @@
     )
   }
 
-  function get_json_string(): string {
-    return JSON.stringify(
+  const get_json_string = (): string =>
+    JSON.stringify(
       {
         elements: diagram_data?.elements ?? [],
         domains: render_domains.map((domain) => ({
@@ -2142,7 +2141,6 @@
       null,
       2,
     )
-  }
 
   function export_json_file(): void {
     download_blob(