matterviz 0.3.4 → 0.3.6

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

@@ -1,2 +0,0 @@
-import type { BandGridData, FermiSurfaceData } from './types';
-export declare function parse_fermi_file(content: string, filename?: string): BandGridData | FermiSurfaceData | null;

package/dist/fermi-surface/parse.js

@@ -1,495 +0,0 @@
-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) {
-    return parse_number_tokens(line).map((part) => +part);
-}
-// Parse whitespace-separated integers from a line
-function parse_ints(line) {
-    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
-function parse_bxsf(content) {
-    const lines = content.split(/\r?\n/).map((line) => line.trim());
-    let line_idx = 0;
-    // Helper to get next non-empty, non-comment line
-    const next_line = () => {
-        while (line_idx < lines.length) {
-            const line = lines[line_idx++];
-            if (line && !line.startsWith(`#`))
-                return line;
-        }
-        throw new Error(`Unexpected end of BXSF file`);
-    };
-    // Find BEGIN_BLOCK_BANDGRID_3D
-    while (line_idx < lines.length) {
-        if (lines[line_idx].includes(`BEGIN_BLOCK_BANDGRID_3D`)) {
-            line_idx++;
-            break;
-        }
-        line_idx++;
-    }
-    if (line_idx >= lines.length) {
-        throw new Error(`BXSF file missing BEGIN_BLOCK_BANDGRID_3D`);
-    }
-    // Skip block identifier line (e.g. "band_energies")
-    next_line();
-    // Parse BEGIN_BANDGRID_3D or BANDGRID_3D_BANDS (both variants exist)
-    const bandgrid_line = next_line();
-    if (!bandgrid_line.includes(`BANDGRID_3D`)) {
-        throw new Error(`Expected BANDGRID_3D header, got: ${bandgrid_line}`);
-    }
-    // Parse number of bands
-    const n_bands = parseInt(next_line(), 10);
-    if (isNaN(n_bands) || n_bands <= 0) {
-        throw new Error(`Invalid number of bands in BXSF file`);
-    }
-    // Parse grid dimensions (nx ny nz)
-    const grid_dims = parse_ints(next_line());
-    if (grid_dims.length !== 3) {
-        throw new Error(`Expected 3 grid dimensions, got ${grid_dims.length}`);
-    }
-    const k_grid = [grid_dims[0], grid_dims[1], grid_dims[2]];
-    // Parse origin
-    const origin_vals = parse_floats(next_line());
-    if (origin_vals.length !== 3) {
-        throw new Error(`Expected 3 origin values, got ${origin_vals.length}`);
-    }
-    const origin = [origin_vals[0], origin_vals[1], origin_vals[2]];
-    // Parse 3 spanning vectors (reciprocal lattice)
-    const spanning_vectors = [
-        parse_floats(next_line()).slice(0, 3),
-        parse_floats(next_line()).slice(0, 3),
-        parse_floats(next_line()).slice(0, 3),
-    ];
-    // Validate spanning vectors
-    for (const vec of spanning_vectors) {
-        if (vec.length !== 3 || vec.some(isNaN)) {
-            throw new Error(`Invalid spanning vector in BXSF file`);
-        }
-    }
-    // Parse band data
-    // Format: BAND: band_number followed by energy values on grid
-    const energies = [[]]; // [spin=1][band][kx][ky][kz]
-    const [nx, ny, nz] = k_grid;
-    const total_points = nx * ny * nz;
-    for (let band_idx = 0; band_idx < n_bands; band_idx++) {
-        // Find BAND: line
-        let band_line = next_line();
-        while (!band_line.startsWith(`BAND:`)) {
-            band_line = next_line();
-        }
-        // Read energy values for this band
-        const energy_values = [];
-        while (energy_values.length < total_points) {
-            const line = next_line();
-            if (line.startsWith(`END_BANDGRID`) || line.startsWith(`BAND:`)) {
-                // Unread this line: after next_line() returns, line_idx points past the
-                // returned line, so decrementing by 1 restores to the line just read
-                line_idx--;
-                break;
-            }
-            energy_values.push(...parse_floats(line));
-        }
-        if (energy_values.length < total_points) {
-            throw new Error(`Band ${band_idx}: expected ${total_points} values, got ${energy_values.length}`);
-        }
-        // Reshape into 3D grid [kx][ky][kz] (preallocated for speed)
-        const band_grid = new Array(nx);
-        let val_idx = 0;
-        for (let ix = 0; ix < nx; ix++) {
-            const iy_arr = new Array(ny);
-            for (let iy = 0; iy < ny; iy++) {
-                const iz_arr = energy_values.slice(val_idx, val_idx + nz);
-                val_idx += nz;
-                iy_arr[iy] = iz_arr;
-            }
-            band_grid[ix] = iy_arr;
-        }
-        energies[0].push(band_grid);
-    }
-    // Try to find Fermi energy (often in a comment or as FERMI_ENERGY keyword)
-    let fermi_energy = 0;
-    for (const line of lines) {
-        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 = /(?:=|:)\s*([-+]?\d*\.?\d+(?:[eE][-+]?\d+)?)/i.exec(line);
-            if (match) {
-                fermi_energy = parseFloat(match[1]);
-                break;
-            }
-        }
-    }
-    return {
-        energies,
-        k_grid,
-        k_lattice: spanning_vectors,
-        fermi_energy,
-        n_bands,
-        n_spins: 1,
-        origin,
-    };
-}
-// 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);
-    let line_idx = 0;
-    // Line 1: grid dimensions (ng[0] ng[1] ng[2])
-    const grid_dims = parse_ints(lines[line_idx++]);
-    if (grid_dims.length !== 3) {
-        throw new Error(`FRMSF: Expected 3 grid dimensions`);
-    }
-    const k_grid = [grid_dims[0], grid_dims[1], grid_dims[2]];
-    // Line 2: lshift (grid shift type)
-    // 0 = Monkhorst-Pack grid (shifted)
-    // 1 = Gamma-centered grid
-    // 2 = Gamma + half grid shift
-    const lshift = parseInt(lines[line_idx++], 10);
-    if (isNaN(lshift) || lshift < 0 || lshift > 2) {
-        throw new Error(`FRMSF: Invalid lshift value (expected 0, 1, or 2)`);
-    }
-    // Line 3: number of bands
-    const n_bands = parseInt(lines[line_idx++], 10);
-    if (isNaN(n_bands) || n_bands <= 0) {
-        throw new Error(`FRMSF: Invalid number of bands`);
-    }
-    // FRMSF format has single spin channel (no spin-polarized support in standard format)
-    const n_spins = 1;
-    // 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),
-    ];
-    const [nx, ny, nz] = k_grid;
-    const total_points = nx * ny * nz;
-    // Parse band energies for each spin and band
-    // FRMSF format: one energy value per line per grid point. Any additional columns
-    // (e.g. auxiliary color/velocity data) are ignored to prevent grid corruption.
-    const energies = [];
-    for (let spin_idx = 0; spin_idx < n_spins; spin_idx++) {
-        energies[spin_idx] = [];
-        for (let band_idx = 0; band_idx < n_bands; band_idx++) {
-            const energy_values = [];
-            // Read energy values (first value per line only, ignore auxiliary columns)
-            while (energy_values.length < total_points && line_idx < lines.length) {
-                const line = lines[line_idx];
-                const first_token = line?.split(/\s+/)[0];
-                if (first_token && !isNaN(parseFloat(first_token))) {
-                    energy_values.push(parseFloat(first_token));
-                    line_idx++;
-                }
-                else {
-                    break;
-                }
-            }
-            if (energy_values.length < total_points) {
-                throw new Error(`FRMSF spin ${spin_idx} band ${band_idx}: expected ${total_points} values, got ${energy_values.length}`);
-            }
-            // Reshape into 3D grid [kx][ky][kz]
-            const band_grid = [];
-            let val_idx = 0;
-            for (let ix = 0; ix < nx; ix++) {
-                band_grid[ix] = [];
-                for (let iy = 0; iy < ny; iy++) {
-                    band_grid[ix][iy] = [];
-                    for (let iz = 0; iz < nz; iz++) {
-                        // FRMSF uses Hartree, convert to eV
-                        band_grid[ix][iy][iz] = energy_values[val_idx++] * constants.HARTREE_TO_EV;
-                    }
-                }
-            }
-            energies[spin_idx].push(band_grid);
-        }
-    }
-    return {
-        energies,
-        k_grid,
-        k_lattice,
-        fermi_energy: 0, // FRMSF typically expects Fermi level at 0
-        n_bands,
-        n_spins,
-    };
-}
-// Validate that an object has the required Isosurface shape
-function is_valid_isosurface(obj) {
-    if (!obj || typeof obj !== `object`)
-        return false;
-    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(faces))
-        return false;
-    if (!Array.isArray(normals))
-        return false;
-    if (typeof band_index !== `number` || !Number.isFinite(band_index))
-        return false;
-    if (spin !== null && spin !== `up` && spin !== `down`)
-        return false;
-    return true;
-}
-// Validate FermiSurfaceData shape
-function is_valid_fermi_surface_data(obj) {
-    if (!obj || typeof obj !== `object`)
-        return false;
-    const data = obj;
-    // Check required fields
-    if (!Array.isArray(data.isosurfaces))
-        return false;
-    if (!Array.isArray(data.k_lattice) || data.k_lattice.length !== 3)
-        return false;
-    if (typeof data.fermi_energy !== `number`)
-        return false;
-    if (data.reciprocal_cell !== `wigner_seitz` && data.reciprocal_cell !== `parallelepiped`) {
-        return false;
-    }
-    if (!data.metadata || typeof data.metadata !== `object`)
-        return false;
-    // Validate each isosurface
-    for (const iso of data.isosurfaces) {
-        if (!is_valid_isosurface(iso))
-            return false;
-    }
-    return true;
-}
-// Parse Matterviz/IFermi JSON format for Fermi surface data
-// Throws on invalid input; returns parsed data on success
-function parse_fermi_json(content) {
-    const data = JSON.parse(content);
-    // Check if it's already in our FermiSurfaceData format with full validation
-    if (data.isosurfaces && Array.isArray(data.isosurfaces)) {
-        if (is_valid_fermi_surface_data(data)) {
-            return data;
-        }
-        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 &&
-        typeof data.isosurfaces === `object`) {
-        return parse_ifermi_surface(data);
-    }
-    // Check if it's BandGridData (raw grid data)
-    if (data.energies && data.k_grid && data.k_lattice) {
-        // Minimal validation of required fields
-        if (!Array.isArray(data.energies) ||
-            !Array.isArray(data.k_grid) ||
-            data.k_grid.length !== 3 ||
-            !Array.isArray(data.k_lattice) ||
-            data.k_lattice.length !== 3)
-            throw new Error(`Invalid BandGridData JSON: malformed required fields`);
-        return data;
-    }
-    // Try to extract from nested structure (e.g. IFermi output)
-    if (data.fermi_surface) {
-        return data.fermi_surface;
-    }
-    if (data.band_structure?.energies || data.bands?.energies) {
-        const bs = data.band_structure || data.bands;
-        return {
-            energies: bs.energies,
-            k_grid: bs.k_grid || bs.kgrid,
-            k_lattice: bs.k_lattice || bs.reciprocal_lattice,
-            fermi_energy: bs.fermi_energy || bs.efermi || 0,
-            n_bands: bs.n_bands || bs.nbands || bs.energies[0]?.length || 0,
-            n_spins: bs.n_spins || bs.nspins || bs.energies.length || 1,
-        };
-    }
-    // Check for pymatgen BandStructure format (k-path, not k-grid)
-    // These files cannot be used for Fermi surface visualization directly
-    if (data.bs?.[`@class`] === `BandStructure` || data[`@class`] === `BandStructure`) {
-        throw new Error(`This is a pymatgen BandStructure file (band data along k-path). ` +
-            `Fermi surface visualization requires a uniform 3D k-grid of eigenvalues. ` +
-            `Use IFermi or a BXSF/FRMSF file instead.`);
-    }
-    throw new Error(`Unrecognized JSON format: missing required fields for Fermi surface data`);
-}
-// Parse IFermi's JSON output format
-function parse_ifermi_surface(data) {
-    const isosurfaces_obj = data.isosurfaces;
-    const reciprocal_space = data.reciprocal_space;
-    // Extract reciprocal lattice
-    const k_lattice = reciprocal_space?.reciprocal_lattice
-        ? reciprocal_space.reciprocal_lattice
-        : [
-            [1, 0, 0],
-            [0, 1, 0],
-            [0, 0, 1],
-        ];
-    // Convert IFermi isosurfaces to our format
-    const isosurfaces = [];
-    const band_indices = new Set();
-    let has_spin = false;
-    for (const [band_key, iso_list] of Object.entries(isosurfaces_obj)) {
-        const band_index = parseInt(band_key, 10);
-        // spin is determined by sign: positive = up, negative = down
-        const spin = band_index < 0 ? `down` : `up`;
-        const abs_band_idx = Math.abs(band_index);
-        band_indices.add(abs_band_idx);
-        if (band_index < 0)
-            has_spin = true;
-        for (const ifermi_iso of iso_list) {
-            const vertices = ifermi_iso.vertices;
-            const faces = ifermi_iso.faces;
-            // Compute vertex normals from faces
-            const normals = compute_vertex_normals(vertices, faces);
-            // Extract properties if available
-            let properties;
-            if (ifermi_iso.properties) {
-                // IFermi stores properties like fermi_velocity, spin, etc.
-                const prop_keys = Object.keys(ifermi_iso.properties);
-                if (prop_keys.length > 0) {
-                    // Use first available property as vertex colors
-                    properties = ifermi_iso.properties[prop_keys[0]];
-                }
-            }
-            // Parse dimensionality
-            let dimensionality;
-            if (ifermi_iso.dimensionality) {
-                const dim = ifermi_iso.dimensionality.toLowerCase();
-                if (dim.includes(`1d`) || dim === `1d`)
-                    dimensionality = `1D`;
-                else if (dim.includes(`quasi`) || dim === `quasi-2d`)
-                    dimensionality = `quasi-2D`;
-                else if (dim.includes(`2d`) || dim === `2d`)
-                    dimensionality = `2D`;
-                else if (dim.includes(`3d`) || dim === `3d`)
-                    dimensionality = `3D`;
-            }
-            // Compute area for this isosurface using fan triangulation for N-gons
-            let area = 0;
-            for (const face of faces) {
-                if (face.length < 3)
-                    continue;
-                // Validate face indices are within bounds to prevent NaN from undefined vertices
-                if (face.some((idx) => idx < 0 || idx >= vertices.length))
-                    continue;
-                // Fan triangulation: for N vertices, create N-2 triangles (0,1,2), (0,2,3), ...
-                const v0 = vertices[face[0]];
-                for (let fan_idx = 1; fan_idx < face.length - 1; fan_idx++) {
-                    const v1 = vertices[face[fan_idx]];
-                    const v2 = vertices[face[fan_idx + 1]];
-                    const e1 = [v1[0] - v0[0], v1[1] - v0[1], v1[2] - v0[2]];
-                    const e2 = [v2[0] - v0[0], v2[1] - v0[1], v2[2] - v0[2]];
-                    const cross = [
-                        e1[1] * e2[2] - e1[2] * e2[1],
-                        e1[2] * e2[0] - e1[0] * e2[2],
-                        e1[0] * e2[1] - e1[1] * e2[0],
-                    ];
-                    area += 0.5 * Math.hypot(cross[0], cross[1], cross[2]);
-                }
-            }
-            isosurfaces.push({
-                vertices,
-                faces,
-                normals,
-                properties,
-                band_index: abs_band_idx,
-                spin,
-                area,
-                dimensionality,
-                orientation: ifermi_iso.orientation,
-            });
-        }
-    }
-    // Compute total surface area
-    const total_area = isosurfaces.reduce((sum, iso) => sum + (iso.area || 0), 0);
-    return {
-        isosurfaces,
-        k_lattice,
-        fermi_energy: 0, // IFermi surfaces are typically relative to Fermi level
-        reciprocal_cell: `wigner_seitz`, // IFermi typically uses Wigner-Seitz cells
-        metadata: {
-            n_bands: band_indices.size,
-            n_surfaces: isosurfaces.length,
-            total_area,
-            source_format: `ifermi-json`,
-            has_spin,
-            has_velocities: isosurfaces.some((iso) => iso.properties !== undefined),
-        },
-    };
-}
-// Auto-detect file format and parse accordingly
-export function parse_fermi_file(content, filename) {
-    const lower_name = filename?.toLowerCase() || ``;
-    // Detect by filename extension
-    if (lower_name.endsWith(`.bxsf`) || lower_name.endsWith(`.bxsf.gz`)) {
-        try {
-            return parse_bxsf(content);
-        }
-        catch (error) {
-            console.error(`BXSF parse error:`, error);
-            return null;
-        }
-    }
-    if (lower_name.endsWith(`.frmsf`) || lower_name.endsWith(`.frmsf.gz`)) {
-        try {
-            return parse_frmsf(content);
-        }
-        catch (error) {
-            console.error(`FRMSF parse error:`, error);
-            return null;
-        }
-    }
-    if (lower_name.endsWith(`.json`) || lower_name.endsWith(`.json.gz`)) {
-        try {
-            return parse_fermi_json(content);
-        }
-        catch (error) {
-            console.error(`JSON parse error:`, error);
-            return null;
-        }
-    }
-    // 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`)) {
-        try {
-            return parse_bxsf(content);
-        }
-        catch (error) {
-            console.error(`BXSF auto-detect parse error:`, error);
-        }
-    }
-    // JSON format detection
-    if (trimmed.startsWith(`{`) || trimmed.startsWith(`[`)) {
-        try {
-            return parse_fermi_json(content);
-        }
-        catch (error) {
-            console.error(`JSON auto-detect parse error:`, error);
-        }
-    }
-    // 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))) {
-        try {
-            return parse_frmsf(content);
-        }
-        catch (error) {
-            console.error(`FRMSF auto-detect parse error:`, error);
-        }
-    }
-    console.warn(`Could not detect Fermi surface file format for: ${filename}`);
-    return null;
-}

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

@@ -1,3 +0,0 @@
-import type { Matrix4Tuple } from '../math';
-export declare const IDENTITY_4x4: Matrix4Tuple;
-export declare const OH_SYMMETRY_MATRICES: Matrix4Tuple[];

package/dist/fermi-surface/symmetry.js

@@ -1,46 +0,0 @@
-// Identity 4x4 matrix (column-major for Three.js)
-// 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],
-    [0, 2, 1],
-    [1, 0, 2],
-    [1, 2, 0],
-    [2, 0, 1],
-    [2, 1, 0],
-];
-// All sign combinations for coordinate flips
-const SIGN_COMBINATIONS = [
-    [1, 1, 1],
-    [1, 1, -1],
-    [1, -1, 1],
-    [1, -1, -1],
-    [-1, 1, 1],
-    [-1, 1, -1],
-    [-1, -1, 1],
-    [-1, -1, -1],
-];
-// Generate the 48 symmetry operations of the cubic Oh point group.
-// These are all combinations of axis permutations (6) and sign flips (8).
-// Used to tile the irreducible BZ to fill the full first Brillouin zone.
-function generate_oh_symmetry_matrices() {
-    const matrices = [];
-    for (const perm of AXIS_PERMUTATIONS) {
-        for (const sign of SIGN_COMBINATIONS) {
-            // Column-major 4x4 matrix: element at (row, col) is at index col*4 + row
-            const mat = new Array(16).fill(0);
-            mat[15] = 1; // w component
-            // Build 3x3 rotation part: M[row][col] = sign[row] if perm[row] === col
-            for (let col = 0; col < 3; col++) {
-                for (let row = 0; row < 3; row++) {
-                    mat[col * 4 + row] = perm[row] === col ? sign[row] : 0;
-                }
-            }
-            matrices.push(mat);
-        }
-    }
-    return matrices;
-}
-// Pre-computed Oh symmetry matrices (48 operations)
-export const OH_SYMMETRY_MATRICES = generate_oh_symmetry_matrices();

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

@@ -1,113 +0,0 @@
-import type { Matrix3x3, Vec3 } from '../math';
-import type { TooltipConfig, TooltipProp } from '../tooltip';
-export type SpinChannel = `up` | `down` | null;
-export type RepresentationMode = `solid` | `wireframe` | `transparent`;
-export type ColorProperty = `band` | `velocity` | `spin` | `custom`;
-export type ReciprocalCellType = `wigner_seitz` | `parallelepiped`;
-export type SurfaceDimensionality = `1D` | `2D` | `quasi-2D` | `3D`;
-export interface Isosurface {
-    vertices: Vec3[];
-    faces: number[][];
-    normals: Vec3[];
-    properties?: number[];
-    vector_properties?: Vec3[];
-    band_index: number;
-    spin: SpinChannel;
-    area?: number;
-    dimensionality?: SurfaceDimensionality;
-    orientation?: Vec3 | null;
-    avg_velocity?: number;
-}
-export interface FermiSurfaceData {
-    isosurfaces: Isosurface[];
-    k_lattice: Matrix3x3;
-    fermi_energy: number;
-    reciprocal_cell: ReciprocalCellType;
-    metadata: FermiSurfaceMetadata;
-}
-export interface FermiSurfaceMetadata {
-    n_bands: number;
-    n_surfaces: number;
-    total_area: number;
-    source_format?: string;
-    source_file?: string;
-    has_spin?: boolean;
-    has_velocities?: boolean;
-    has_spin_texture?: boolean;
-    is_irreducible?: boolean;
-}
-export type EnergyGrid5D = number[][][][][];
-export type VectorGrid5D = Vec3[][][][][];
-export interface BandGridData {
-    energies: EnergyGrid5D;
-    k_grid: Vec3;
-    k_lattice: Matrix3x3;
-    fermi_energy: number;
-    velocities?: VectorGrid5D;
-    spin_texture?: VectorGrid5D;
-    n_bands: number;
-    n_spins: number;
-    origin?: Vec3;
-}
-export interface FermiSliceData {
-    isolines: Isoline[];
-    plane_normal: Vec3;
-    plane_distance: number;
-    k_lattice_2d: [Vec3, Vec3];
-    metadata: {
-        n_lines: number;
-        has_properties: boolean;
-    };
-}
-export interface Isoline {
-    points: Vec3[];
-    points_2d: [number, number][];
-    properties?: number[];
-    band_index: number;
-    spin: SpinChannel;
-    is_closed: boolean;
-}
-export interface FermiSurfaceOptions {
-    mu?: number;
-    wigner_seitz?: boolean;
-    compute_velocities?: boolean;
-    compute_dimensionality?: boolean;
-    selected_bands?: number[];
-    selected_spins?: SpinChannel[];
-    interpolation_factor?: number;
-}
-export interface FermiSliceOptions {
-    miller_indices?: Vec3;
-    distance?: number;
-}
-export interface FermiFileLoadData {
-    fermi_data?: FermiSurfaceData;
-    band_data?: BandGridData;
-    filename: string;
-    file_size: number;
-}
-export interface FermiErrorData {
-    error_msg: string;
-    filename?: string;
-}
-export interface FermiHoverData {
-    band_index: number;
-    spin: SpinChannel;
-    position_cartesian: Vec3;
-    position_fractional: Vec3 | null;
-    screen_position: {
-        x: number;
-        y: number;
-    };
-    surface_color?: string;
-    property_value?: number;
-    property_name?: string;
-    is_tiled?: boolean;
-    symmetry_index?: number;
-}
-export type FermiTooltipConfig = TooltipConfig<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;

package/dist/fermi-surface/types.js

@@ -1,4 +0,0 @@
-// Type guard: checks if parsed result is FermiSurfaceData (has pre-computed isosurfaces)
-export const is_fermi_surface_data = (data) => data !== null && `isosurfaces` in data;
-// Type guard: checks if parsed result is BandGridData (raw band grid, needs extraction)
-export const is_band_grid_data = (data) => data !== null && `energies` in data;