matterviz 0.3.1 → 0.3.3

package/dist/fermi-surface/FermiSurfaceScene.svelte.d.ts

@@ -45,6 +45,6 @@ type $$ComponentProps = {
     camera?: Camera;
     hover_data?: FermiHoverData | null;
 };
-declare const FermiSurfaceScene: import("svelte").Component<$$ComponentProps, {}, "camera_position" | "camera_projection" | "camera_is_moving" | "scene" | "camera" | "surface_opacity" | "bz_data" | "hover_data" | "fermi_data">;
+declare const FermiSurfaceScene: import("svelte").Component<$$ComponentProps, {}, "camera_position" | "camera_projection" | "camera" | "scene" | "camera_is_moving" | "surface_opacity" | "bz_data" | "hover_data" | "fermi_data">;
 type FermiSurfaceScene = ReturnType<typeof FermiSurfaceScene>;
 export default FermiSurfaceScene;

package/dist/fermi-surface/FermiSurfaceTooltip.svelte

@@ -1,8 +1,17 @@
-<script lang="ts">// Tooltip component for Fermi surface hover information
-// Displays band index, spin, k-coordinates, and optional property values
-import { format_num, format_vec3 } from '../labels';
-import { TooltipContent } from '../tooltip';
-let { hover_data, tooltip, } = $props();
+<script lang="ts">
+  // Tooltip component for Fermi surface hover information
+  // Displays band index, spin, k-coordinates, and optional property values
+  import { format_num, format_vec3 } from '../labels'
+  import { TooltipContent } from '../tooltip'
+  import type { FermiHoverData, FermiTooltipProp } from './types'
+
+  let {
+    hover_data,
+    tooltip,
+  }: {
+    hover_data: FermiHoverData
+    tooltip?: FermiTooltipProp
+  } = $props()
 </script>
 
 <TooltipContent data={hover_data} snippet_arg={{ hover_data }} {tooltip}>

package/dist/fermi-surface/compute.js

@@ -42,8 +42,9 @@ function tricubic_interpolate(grid, fx, fy, fz, nx, ny, nz) {
         for (let yi = 0; yi < 4; yi++) {
             const col = row[wy[yi]];
             // Inline z interpolation
-            y_sum += cy[yi] * (cz[0] * col[wz[0]] + cz[1] * col[wz[1]] +
-                cz[2] * col[wz[2]] + cz[3] * col[wz[3]]);
+            y_sum +=
+                cy[yi] *
+                    (cz[0] * col[wz[0]] + cz[1] * col[wz[1]] + cz[2] * col[wz[2]] + cz[3] * col[wz[3]]);
         }
         result += cx[xi] * y_sum;
     }
@@ -95,9 +96,7 @@ export function extract_fermi_surface(band_data, options = {}) {
     let total_area = 0;
     // Process each spin channel and band
     for (let spin_idx = 0; spin_idx < band_data.n_spins; spin_idx++) {
-        const spin = band_data.n_spins === 2
-            ? (spin_idx === 0 ? `up` : `down`)
-            : null;
+        const spin = band_data.n_spins === 2 ? (spin_idx === 0 ? `up` : `down`) : null;
         // Skip if spin not selected
         if (selected_spins && !selected_spins.includes(spin))
             continue;
@@ -138,8 +137,8 @@ export function extract_fermi_surface(band_data, options = {}) {
             // Compute Fermi velocities if requested
             if (compute_velocities && band_data.velocities) {
                 isosurface.properties = compute_fermi_velocities(isosurface, band_data.velocities[spin_idx][band_idx], band_data.k_lattice, band_data.k_grid);
-                isosurface.avg_velocity = isosurface.properties.reduce((s, v) => s + v, 0) /
-                    isosurface.properties.length;
+                isosurface.avg_velocity =
+                    isosurface.properties.reduce((s, v) => s + v, 0) / isosurface.properties.length;
             }
             // Compute dimensionality if requested
             if (compute_dimensionality) {
@@ -309,7 +308,7 @@ function analyze_surface_topology(surface, bz_data) {
 }
 // Compute 2D Fermi slice along a specified plane
 export function compute_fermi_slice(fermi_data, options = {}) {
-    const { miller_indices = [0, 0, 1], distance = 0, } = options;
+    const { miller_indices = [0, 0, 1], distance = 0 } = options;
     // Validate miller indices are not all zero
     if (miller_indices[0] === 0 && miller_indices[1] === 0 && miller_indices[2] === 0) {
         throw new Error(`Invalid miller indices [0, 0, 0]: at least one index must be non-zero to define a plane`);
@@ -336,7 +335,7 @@ export function compute_fermi_slice(fermi_data, options = {}) {
         k_lattice_2d: [in_plane_u, in_plane_v],
         metadata: {
             n_lines: isolines.length,
-            has_properties: isolines.some((l) => l.properties !== undefined),
+            has_properties: isolines.some((line) => line.properties !== undefined),
         },
     };
 }
@@ -359,8 +358,9 @@ function compute_edge_intersection(surface, vertex_distances, v0_idx, v1_idx) {
     ];
     let property;
     if (surface.properties) {
-        property = surface.properties[v0_idx] +
-            t * (surface.properties[v1_idx] - surface.properties[v0_idx]);
+        property =
+            surface.properties[v0_idx] +
+                t * (surface.properties[v1_idx] - surface.properties[v0_idx]);
     }
     return { point, property };
 }
@@ -397,10 +397,7 @@ function slice_surface_with_plane(surface, plane_normal, plane_distance, in_plan
             face_segments.push({
                 face_idx,
                 edge_keys: [crossing_edges[0].edge_key, crossing_edges[1].edge_key],
-                points: [
-                    crossing_edges[0].intersection.point,
-                    crossing_edges[1].intersection.point,
-                ],
+                points: [crossing_edges[0].intersection.point, crossing_edges[1].intersection.point],
                 properties: surface.properties
                     ? [
                         crossing_edges[0].intersection.property ?? 0,
@@ -487,8 +484,7 @@ function slice_surface_with_plane(surface, plane_normal, plane_distance, in_plan
             start_segment.points[0],
             ...forward_points,
         ];
-        const contour_props = backward_props && forward_props &&
-            start_segment.properties
+        const contour_props = backward_props && forward_props && start_segment.properties
             ? [...backward_props, start_segment.properties[0], ...forward_props]
             : undefined;
         // Check if contour is closed
@@ -498,10 +494,10 @@ function slice_surface_with_plane(surface, plane_normal, plane_distance, in_plan
         // Project to 2D (inlined dot product for speed)
         const points_2d = new Array(contour_points.length);
         for (let idx = 0; idx < contour_points.length; idx++) {
-            const p = contour_points[idx];
+            const point = contour_points[idx];
             points_2d[idx] = [
-                p[0] * ux + p[1] * uy + p[2] * uz,
-                p[0] * vx + p[1] * vy + p[2] * vz,
+                point[0] * ux + point[1] * uy + point[2] * uz,
+                point[0] * vx + point[1] * vy + point[2] * vz,
             ];
         }
         isolines.push({

package/dist/fermi-surface/parse.js

@@ -1,24 +1,13 @@
 import * as constants from './constants';
 import { compute_vertex_normals } from './marching-cubes';
+const parse_number_tokens = (line) => line.split(/\s+/).filter(Boolean);
 // Parse whitespace-separated floats from a line (optimized with unary +)
 function parse_floats(line) {
-    const parts = line.split(/\s+/);
-    const result = [];
-    for (let idx = 0; idx < parts.length; idx++) {
-        if (parts[idx])
-            result.push(+parts[idx]);
-    }
-    return result;
+    return parse_number_tokens(line).map((part) => +part);
 }
 // Parse whitespace-separated integers from a line
 function parse_ints(line) {
-    const parts = line.split(/\s+/);
-    const result = [];
-    for (let idx = 0; idx < parts.length; idx++) {
-        if (parts[idx])
-            result.push(parseInt(parts[idx], 10));
-    }
-    return result;
+    return parse_number_tokens(line).map((part) => parseInt(part, 10));
 }
 // Parse BXSF (Band-XSF) format used by XCrySDen, Quantum ESPRESSO, etc.
 // Format specification: http://www.xcrysden.org/doc/XSF.html
@@ -127,7 +116,7 @@ function parse_bxsf(content) {
         const lower = line.toLowerCase();
         if (lower.includes(`fermi`) && lower.includes(`energy`)) {
             // Match patterns like "Fermi Energy = 5.123" or "fermi_energy: -0.5"
-            const match = line.match(/(?:=|:)\s*([-+]?\d*\.?\d+(?:[eE][-+]?\d+)?)/i);
+            const match = /(?:=|:)\s*([-+]?\d*\.?\d+(?:[eE][-+]?\d+)?)/i.exec(line);
             if (match) {
                 fermi_energy = parseFloat(match[1]);
                 break;
@@ -147,7 +136,10 @@ function parse_bxsf(content) {
 // Parse FRMSF format used by FermiSurfer
 // Format: https://mitsuaki1987.github.io/fermisurfer/en/_build/html/ops.html
 function parse_frmsf(content) {
-    const lines = content.split(/\r?\n/).map((line) => line.trim()).filter(Boolean);
+    const lines = content
+        .split(/\r?\n/)
+        .map((line) => line.trim())
+        .filter(Boolean);
     let line_idx = 0;
     // Line 1: grid dimensions (ng[0] ng[1] ng[2])
     const grid_dims = parse_ints(lines[line_idx++]);
@@ -173,9 +165,15 @@ function parse_frmsf(content) {
     // Lines 4-6: reciprocal lattice vectors (in Bohr^-1, convert to Å^-1)
     const inv_bohr = 1 / constants.BOHR_TO_ANGSTROM;
     const k_lattice = [
-        parse_floats(lines[line_idx++]).slice(0, 3).map((val) => val * inv_bohr),
-        parse_floats(lines[line_idx++]).slice(0, 3).map((val) => val * inv_bohr),
-        parse_floats(lines[line_idx++]).slice(0, 3).map((val) => val * inv_bohr),
+        parse_floats(lines[line_idx++])
+            .slice(0, 3)
+            .map((val) => val * inv_bohr),
+        parse_floats(lines[line_idx++])
+            .slice(0, 3)
+            .map((val) => val * inv_bohr),
+        parse_floats(lines[line_idx++])
+            .slice(0, 3)
+            .map((val) => val * inv_bohr),
     ];
     const [nx, ny, nz] = k_grid;
     const total_points = nx * ny * nz;
@@ -231,18 +229,21 @@ function parse_frmsf(content) {
 function is_valid_isosurface(obj) {
     if (!obj || typeof obj !== `object`)
         return false;
-    const iso = obj;
-    // Required array fields
-    if (!Array.isArray(iso.vertices) || iso.vertices.length === 0)
+    const isosurface_obj = obj;
+    const vertices = isosurface_obj.vertices;
+    const faces = isosurface_obj.faces;
+    const normals = isosurface_obj.normals;
+    const band_index = isosurface_obj.band_index;
+    const spin = isosurface_obj.spin;
+    if (!Array.isArray(vertices) || vertices.length === 0)
         return false;
-    if (!Array.isArray(iso.faces))
+    if (!Array.isArray(faces))
         return false;
-    if (!Array.isArray(iso.normals))
+    if (!Array.isArray(normals))
         return false;
-    // Required scalar fields
-    if (typeof iso.band_index !== `number`)
+    if (typeof band_index !== `number` || !Number.isFinite(band_index))
         return false;
-    if (iso.spin !== null && iso.spin !== `up` && iso.spin !== `down`)
+    if (spin !== null && spin !== `up` && spin !== `down`)
         return false;
     return true;
 }
@@ -282,7 +283,8 @@ function parse_fermi_json(content) {
         throw new Error(`Invalid FermiSurfaceData JSON: isosurfaces array present but missing required fields`);
     }
     // Check if it's IFermi format (isosurfaces is an object keyed by band index)
-    if (data[`@class`] === `FermiSurface` && data.isosurfaces &&
+    if (data[`@class`] === `FermiSurface` &&
+        data.isosurfaces &&
         typeof data.isosurfaces === `object`) {
         return parse_ifermi_surface(data);
     }
@@ -328,7 +330,11 @@ function parse_ifermi_surface(data) {
     // Extract reciprocal lattice
     const k_lattice = reciprocal_space?.reciprocal_lattice
         ? reciprocal_space.reciprocal_lattice
-        : [[1, 0, 0], [0, 1, 0], [0, 0, 1]];
+        : [
+            [1, 0, 0],
+            [0, 1, 0],
+            [0, 0, 1],
+        ];
     // Convert IFermi isosurfaces to our format
     const isosurfaces = [];
     const band_indices = new Set();
@@ -456,8 +462,7 @@ export function parse_fermi_file(content, filename) {
     // Try auto-detection based on content
     const trimmed = content.trim();
     // BXSF format detection
-    if (trimmed.includes(`BEGIN_BLOCK_BANDGRID_3D`) ||
-        trimmed.includes(`BEGIN_BANDGRID_3D`)) {
+    if (trimmed.includes(`BEGIN_BLOCK_BANDGRID_3D`) || trimmed.includes(`BEGIN_BANDGRID_3D`)) {
         try {
             return parse_bxsf(content);
         }
@@ -477,8 +482,7 @@ export function parse_fermi_file(content, filename) {
     // FRMSF format detection (starts with grid dimensions)
     const first_line = trimmed.split(/\r?\n/)[0];
     const first_tokens = first_line.split(/\s+/).filter(Boolean);
-    if (first_tokens.length === 3 &&
-        first_tokens.every((t) => /^\d+$/.test(t))) {
+    if (first_tokens.length === 3 && first_tokens.every((t) => /^\d+$/.test(t))) {
         try {
             return parse_frmsf(content);
         }

package/dist/fermi-surface/symmetry.js

@@ -1,11 +1,6 @@
 // Identity 4x4 matrix (column-major for Three.js)
-// deno-fmt-ignore
-export const IDENTITY_4x4 = [
-    1, 0, 0, 0,
-    0, 1, 0, 0,
-    0, 0, 1, 0,
-    0, 0, 0, 1,
-];
+// oxfmt-ignore
+export const IDENTITY_4x4 = [1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1];
 // All permutations of (0, 1, 2) for axis swaps
 const AXIS_PERMUTATIONS = [
     [0, 1, 2],

package/dist/fermi-surface/types.d.ts

@@ -106,10 +106,8 @@ export interface FermiHoverData {
     symmetry_index?: number;
 }
 export type FermiTooltipConfig = TooltipConfig<FermiHoverData>;
-export type FermiTooltipProp = TooltipProp<FermiHoverData, [
-    {
-        hover_data: FermiHoverData;
-    }
-]>;
+export type FermiTooltipProp = TooltipProp<FermiHoverData, [{
+    hover_data: FermiHoverData;
+}]>;
 export declare const is_fermi_surface_data: (data: BandGridData | FermiSurfaceData | null) => data is FermiSurfaceData;
 export declare const is_band_grid_data: (data: BandGridData | FermiSurfaceData | null) => data is BandGridData;