matterviz 0.3.5 → 0.3.6

package/dist/xrd/broadening.js

@@ -1,97 +0,0 @@
-const LOG_2 = Math.log(2);
-export const DEFAULT_BROADENING = {
-    U: 0.04,
-    V: -0.02,
-    W: 0.02,
-    shape_factor: 0.5, // Mixed Gaussian/Lorentzian
-};
-// Calculates the Full Width at Half Maximum (FWHM) at a given theta angle
-// using the Caglioti formula: FWHM^2 = U * tan^2(theta) + V * tan(theta) + W
-export function caglioti_fwhm(two_theta, // Angle in degrees (2θ)
-U, // Caglioti parameter U
-V, // Caglioti parameter V
-W) {
-    // FWHM in degrees (2θ)
-    const theta_rad = (two_theta / 2) * (Math.PI / 180);
-    const tan_theta = Math.tan(theta_rad);
-    const fwhm_sq = U * tan_theta ** 2 + V * tan_theta + W;
-    // Ensure non-negative squared width
-    return Math.sqrt(Math.max(1e-9, fwhm_sq));
-}
-// Normalized Gaussian profile. x: position, x0: peak center, fwhm: Full Width at Half Maximum
-function gaussian(x, x0, fwhm) {
-    // Intensity at x
-    const safe_fwhm = Math.max(fwhm, 1e-9);
-    const sigma = safe_fwhm / (2 * Math.sqrt(2 * LOG_2));
-    const prefactor = 1 / (sigma * Math.sqrt(2 * Math.PI));
-    const exponent = -((x - x0) ** 2) / (2 * sigma ** 2);
-    return prefactor * Math.exp(exponent);
-}
-// Normalized Lorentzian profile. x: position, x0: peak center, fwhm: Full Width at Half Maximum
-function lorentzian(x, x0, fwhm) {
-    // Intensity at x
-    const safe_fwhm = Math.max(fwhm, 1e-9);
-    const gamma = safe_fwhm / 2;
-    const prefactor = 1 / (Math.PI * gamma);
-    const denominator = 1 + ((x - x0) / gamma) ** 2;
-    return prefactor / denominator;
-}
-// Pseudo-Voigt profile (linear combination of Gaussian and Lorentzian).
-export function pseudo_voigt(x, // Position
-x0, // Peak center
-fwhm, // Full Width at Half Maximum
-eta) {
-    // Intensity at x
-    // Clamp eta to [0, 1]
-    const safe_eta = Math.max(0, Math.min(1, eta));
-    return safe_eta * lorentzian(x, x0, fwhm) + (1 - safe_eta) * gaussian(x, x0, fwhm);
-}
-// Computes a broadened XRD pattern from discrete peaks.
-export function compute_broadened_pattern(pattern, // Discrete XRD pattern (peaks)
-params, // Broadening parameters (U, V, W, shape_factor)
-range, // Angular range [min, max] in degrees
-step_size = 0.02) {
-    // Continuous broadened pattern
-    if (!Number.isFinite(step_size) || step_size <= 0) {
-        throw new Error(`step_size must be > 0 and finite`);
-    }
-    const [min_angle, max_angle] = range;
-    if (!Number.isFinite(min_angle) || !Number.isFinite(max_angle) || max_angle <= min_angle) {
-        throw new Error(`range must be finite and max > min`);
-    }
-    const { U, V, W, shape_factor } = params;
-    // Create x grid
-    const n_steps = Math.ceil((max_angle - min_angle) / step_size);
-    const xs = new Float32Array(n_steps);
-    const ys = new Float32Array(n_steps);
-    for (let idx = 0; idx < n_steps; idx++) {
-        xs[idx] = min_angle + idx * step_size;
-    }
-    const { x: peak_pos, y: peak_int } = pattern;
-    // Optimization: Process each peak and add to grid
-    for (let peak_idx = 0; peak_idx < peak_pos.length; peak_idx++) {
-        const x0 = peak_pos[peak_idx];
-        const intensity = peak_int[peak_idx];
-        // Skip negligible peaks
-        if (intensity < 1e-5)
-            continue;
-        // Skip peaks outside range (with some buffer)
-        if (x0 < min_angle - 5 || x0 > max_angle + 5)
-            continue;
-        const fwhm = caglioti_fwhm(x0, U, V, W);
-        // Define window for calculation (e.g. +/- 10 * FWHM or fixed reasonable range)
-        // Lorentzian tails are long, so we need a decent window.
-        // 20 * FWHM is usually sufficient for visual purposes.
-        const window = 20 * fwhm;
-        const start_idx = Math.max(0, Math.floor((x0 - window - min_angle) / step_size));
-        const end_idx = Math.min(n_steps - 1, Math.ceil((x0 + window - min_angle) / step_size));
-        for (let idx = start_idx; idx <= end_idx; idx++) {
-            const x = xs[idx];
-            ys[idx] += intensity * pseudo_voigt(x, x0, fwhm, shape_factor);
-        }
-    }
-    // Convert back to number[]
-    // We don't map hkls to continuous profile points usually,
-    // or we could try to map them to the nearest peak, but for now leave undefined.
-    return { x: Array.from(xs), y: Array.from(ys) };
-}

package/dist/xrd/calc-xrd.d.ts

@@ -1,37 +0,0 @@
-import type { Crystal } from '../structure/index';
-import type { PatternEntry, XrdOptions, XrdPattern } from './index';
-export declare const WAVELENGTHS: {
-    readonly CuKa: 1.54184;
-    readonly CuKa2: 1.54439;
-    readonly CuKa1: 1.54056;
-    readonly CuKb1: 1.39222;
-    readonly MoKa: 0.71073;
-    readonly MoKa2: 0.71359;
-    readonly MoKa1: 0.7093;
-    readonly MoKb1: 0.63229;
-    readonly CrKa: 2.291;
-    readonly CrKa2: 2.29361;
-    readonly CrKa1: 2.2897;
-    readonly CrKb1: 2.08487;
-    readonly FeKa: 1.93735;
-    readonly FeKa2: 1.93998;
-    readonly FeKa1: 1.93604;
-    readonly FeKb1: 1.75661;
-    readonly CoKa: 1.79026;
-    readonly CoKa2: 1.79285;
-    readonly CoKa1: 1.78896;
-    readonly CoKb1: 1.63079;
-    readonly AgKa: 0.560885;
-    readonly AgKa2: 0.563813;
-    readonly AgKa1: 0.559421;
-    readonly AgKb1: 0.497082;
-};
-export type RadiationKey = keyof typeof WAVELENGTHS;
-export declare function compute_xrd_pattern(structure: Crystal, options?: XrdOptions): XrdPattern;
-export declare function add_xrd_pattern(content: string | ArrayBufferLike, // File content as string or ArrayBuffer
-filename: string, // Name of the file (used to detect format)
-wavelength: number | null): Promise<{
-    pattern?: PatternEntry;
-    error?: string;
-}>;
-export declare const AVAILABLE_RADIATION: RadiationKey[];

package/dist/xrd/calc-xrd.js

@@ -1,337 +0,0 @@
-import { element_data } from '../element';
-import * as math from '../math';
-import { parse_any_structure } from '../structure/parse';
-import { is_crystal } from '../structure/validation';
-// Single source of truth for atomic scattering params
-import ATOMIC_SCATTERING_PARAMS from './atomic_scattering_params.json' with { type: 'json' };
-import { is_xrd_data_file, parse_xrd_file } from './parse';
-// XRD wavelengths in Angstrom (Å)
-export const WAVELENGTHS = {
-    CuKa: 1.54184,
-    CuKa2: 1.54439,
-    CuKa1: 1.54056,
-    CuKb1: 1.39222,
-    MoKa: 0.71073,
-    MoKa2: 0.71359,
-    MoKa1: 0.7093,
-    MoKb1: 0.63229,
-    CrKa: 2.291,
-    CrKa2: 2.29361,
-    CrKa1: 2.2897,
-    CrKb1: 2.08487,
-    FeKa: 1.93735,
-    FeKa2: 1.93998,
-    FeKa1: 1.93604,
-    FeKb1: 1.75661,
-    CoKa: 1.79026,
-    CoKa2: 1.79285,
-    CoKa1: 1.78896,
-    CoKb1: 1.63079,
-    AgKa: 0.560885,
-    AgKa2: 0.563813,
-    AgKa1: 0.559421,
-    AgKb1: 0.497082,
-};
-// Type guard to safely check if a string is a valid RadiationKey
-function is_radiation_key(key) {
-    return key in WAVELENGTHS;
-}
-// Tolerances from pymatgen.analysis.diffraction.core
-const TWO_THETA_TOL = 1e-5;
-const SCALED_INTENSITY_TOL = 1e-3;
-const ELEMENT_Z = Object.fromEntries(element_data.map((entry) => [entry.symbol, entry.number]));
-function get_unique_families(hkls) {
-    // Port of pymatgen's get_unique_families: group Miller indices by absolute-value permutations
-    const key_map = new Map();
-    for (const hkl of hkls) {
-        const abs_sorted = hkl.map((val) => Math.abs(val)).sort((x, y) => x - y);
-        const key = abs_sorted.join(`,`);
-        const list = key_map.get(key);
-        if (list)
-            list.push(hkl);
-        else
-            key_map.set(key, [hkl]);
-    }
-    // Choose representative with max tuple (lexicographic) like numpy max(val)
-    const family_map = new Map();
-    for (const group of key_map.values()) {
-        let representative = group[0];
-        for (const candidate of group) {
-            const better = candidate[0] > representative[0] ||
-                (candidate[0] === representative[0] &&
-                    (candidate[1] > representative[1] ||
-                        (candidate[1] === representative[1] && candidate[2] > representative[2])));
-            if (better)
-                representative = candidate;
-        }
-        family_map.set(representative.join(`,`), group.length);
-    }
-    return family_map;
-}
-function compute_reciprocal_lattice_rows(structure) {
-    // For row-wise lattice matrix A (rows are a, b, c), reciprocal rows are inv(A)^T
-    const direct = structure.lattice.matrix;
-    const inv = math.matrix_inverse_3x3(direct);
-    const recip = math.transpose_3x3_matrix(inv);
-    return recip;
-}
-function enumerate_reciprocal_points(recip_rows, max_radius, min_radius) {
-    const recip_b1 = recip_rows[0];
-    const recip_b2 = recip_rows[1];
-    const recip_b3 = recip_rows[2];
-    const n1 = Math.max(Math.hypot(...recip_b1), 1e-12);
-    const n2 = Math.max(Math.hypot(...recip_b2), 1e-12);
-    const n3 = Math.max(Math.hypot(...recip_b3), 1e-12);
-    const h_max = Math.ceil(max_radius / n1 + 2);
-    const k_max = Math.ceil(max_radius / n2 + 2);
-    const l_max = Math.ceil(max_radius / n3 + 2);
-    // Safety cap to avoid pathological enumeration volume
-    const CAP = 512;
-    if (Math.max(h_max, k_max, l_max) > CAP) {
-        throw new Error(`enumerate_reciprocal_points: max(h,k,l) exceeds cap ${CAP}`);
-    }
-    const points = [];
-    for (let h_idx = -h_max; h_idx <= h_max; h_idx++) {
-        for (let k_idx = -k_max; k_idx <= k_max; k_idx++) {
-            for (let l_idx = -l_max; l_idx <= l_max; l_idx++) {
-                if (h_idx === 0 && k_idx === 0 && l_idx === 0)
-                    continue;
-                const h_mul_b1 = math.scale(recip_b1, h_idx);
-                const k_mul_b2 = math.scale(recip_b2, k_idx);
-                const l_mul_b3 = math.scale(recip_b3, l_idx);
-                const g_vec = math.add(h_mul_b1, k_mul_b2, l_mul_b3);
-                const g_norm = Math.hypot(...g_vec);
-                if (g_norm < min_radius || g_norm > max_radius)
-                    continue;
-                points.push({ hkl: [h_idx, k_idx, l_idx], g_norm });
-            }
-        }
-    }
-    // Sort by (g_norm asc, -h, -k, -l) to mimic pymatgen ordering
-    points.sort((p1, p2) => p1.g_norm !== p2.g_norm
-        ? p1.g_norm - p2.g_norm
-        : p2.hkl[0] !== p1.hkl[0]
-            ? p2.hkl[0] - p1.hkl[0]
-            : p2.hkl[1] !== p1.hkl[1]
-                ? p2.hkl[1] - p1.hkl[1]
-                : p2.hkl[2] - p1.hkl[2]);
-    return points;
-}
-export function compute_xrd_pattern(structure, options = {}) {
-    const wl_input = options.wavelength ?? `CuKa`;
-    let wavelength;
-    if (typeof wl_input === `number`) {
-        if (!Number.isFinite(wl_input) || wl_input <= 0) {
-            throw new Error(`Invalid wavelength: ${wl_input}. Must be a finite positive number.`);
-        }
-        wavelength = wl_input;
-    }
-    else {
-        if (!is_radiation_key(wl_input)) {
-            throw new Error(`Unknown radiation key: ${wl_input}`);
-        }
-        wavelength = WAVELENGTHS[wl_input];
-    }
-    // Symmetry refinement (symprec > 0) is not implemented in TS version.
-    // Option retained for API parity.
-    // const symprec = options.symprec ?? 0
-    const recip_rows = compute_reciprocal_lattice_rows(structure);
-    // Bragg condition bounds: reciprocal vector length r = 2 sin(theta) / lambda
-    const two_theta_range = options.two_theta_range === null ? null : (options.two_theta_range ?? [0, 180]);
-    const [min_radius, max_radius] = two_theta_range === null
-        ? [0, 2 / wavelength]
-        : (([t_min, t_max]) => {
-            const r_min = (2 * Math.sin((t_min / 2) * (Math.PI / 180))) / wavelength;
-            const r_max = (2 * Math.sin((t_max / 2) * (Math.PI / 180))) / wavelength;
-            return [r_min, r_max];
-        })(two_theta_range);
-    const recip_points = enumerate_reciprocal_points(recip_rows, max_radius, min_radius);
-    const coeffs = [];
-    const frac_coords = [];
-    const occus = [];
-    const dw_factors = [];
-    const debye_waller_factors = options.debye_waller_factors ?? {};
-    for (const site of structure.sites) {
-        for (const species of site.species) {
-            const element_symbol = species.element;
-            if (ELEMENT_Z[element_symbol] === undefined) {
-                throw new Error(`Unknown atomic number for element ${element_symbol}`);
-            }
-            const raw_coeff = ATOMIC_SCATTERING_PARAMS[element_symbol];
-            if (!raw_coeff) {
-                throw new Error(`No atomic scattering coefficients for ${element_symbol}. Extend ATOMIC_SCATTERING_PARAMS.`);
-            }
-            let coeff_entry;
-            if (Array.isArray(raw_coeff)) {
-                const a_arr = raw_coeff.map(([a]) => a);
-                const b_arr = raw_coeff.map(([_, b]) => b);
-                coeff_entry = { a: a_arr, b: b_arr };
-            }
-            else {
-                coeff_entry = { a: raw_coeff.a.slice(), b: raw_coeff.b.slice(), c: raw_coeff.c };
-            }
-            coeffs.push(coeff_entry);
-            frac_coords.push(site.abc);
-            occus.push(species.occu);
-            dw_factors.push(debye_waller_factors[element_symbol] ?? 0);
-        }
-    }
-    // Accumulate peaks by merging two_thetas within tolerance
-    const peaks = new Map();
-    const two_thetas = [];
-    const merge_tol = options.peak_merge_tol ?? TWO_THETA_TOL;
-    const scaled_tol = options.scaled_intensity_tol ?? SCALED_INTENSITY_TOL;
-    for (const entry of recip_points) {
-        const hkl = entry.hkl;
-        const g_norm = entry.g_norm;
-        if (g_norm === 0)
-            continue;
-        const asin_arg = (wavelength * g_norm) / 2;
-        // asin domain can exceed 1 by FP error — clamp to avoid NaN
-        const clamped_asin_arg = Math.min(1, Math.max(-1, asin_arg));
-        const theta = Math.asin(clamped_asin_arg);
-        const sin_theta_over_lambda = g_norm / 2;
-        const sin_theta_over_lambda_sq = sin_theta_over_lambda * sin_theta_over_lambda;
-        // g.r for all fractional coords
-        const g_dot_r_all = frac_coords.map((frac_coord) => math.dot(frac_coord, hkl));
-        // Atomic scattering factors (vectorized style)
-        const f_scattering = coeffs.map((coeff_entry) => {
-            const { a: a_arr, b: b_arr } = coeff_entry;
-            const num_terms = Math.min(a_arr.length, b_arr.length);
-            const sum_terms = a_arr
-                .slice(0, num_terms)
-                .reduce((sum, a_i, term_idx) => sum + a_i * Math.exp(-b_arr[term_idx] * sin_theta_over_lambda_sq), 0);
-            return sum_terms + (coeff_entry.c ?? 0);
-        });
-        const dw_corr = dw_factors.map((dw_b) => Math.exp(-dw_b * sin_theta_over_lambda_sq));
-        // Structure factor sum: sum(fs * occu * exp(2πi g·r) * DW)
-        const { real: f_real, imag: f_imag } = f_scattering.reduce((acc, fs, idx) => {
-            const phase = 2 * Math.PI * g_dot_r_all[idx];
-            const weight = fs * occus[idx] * dw_corr[idx];
-            const real = acc.real + weight * Math.cos(phase);
-            const imag = acc.imag + weight * Math.sin(phase);
-            return { real, imag };
-        }, { real: 0, imag: 0 });
-        const sin_theta = Math.sin(theta);
-        const cos_theta = Math.cos(theta);
-        const denom_raw = sin_theta * sin_theta * Math.abs(cos_theta);
-        // Clamp denominator away from zero to avoid Inf/NaN when 2θ → 180° (cosθ → 0)
-        const denom = Math.max(denom_raw, 1e-12);
-        const lorentz = (1 + Math.cos(2 * theta) ** 2) / denom;
-        const intensity_hkl = (f_real * f_real + f_imag * f_imag) * lorentz;
-        const two_theta = math.to_degrees(2 * theta);
-        // Use (h, k, l) always. For hexagonal systems, pymatgen presents Miller–Bravais (h, k, i, l),
-        // but downstream components expect 3-index HKL. Keep 3-index form to match types/consumers.
-        const hkl_to_store = [hkl[0], hkl[1], hkl[2]];
-        // Merge peaks within tolerance
-        let found_index = null;
-        for (let idx = 0; idx < two_thetas.length; idx++) {
-            if (Math.abs(two_thetas[idx] - two_theta) < merge_tol) {
-                found_index = idx;
-                break;
-            }
-        }
-        if (found_index !== null) {
-            const key = two_thetas[found_index];
-            const item = peaks.get(key);
-            if (item) {
-                item.intensity += intensity_hkl;
-                item.hkls.push(hkl_to_store);
-            }
-        }
-        else {
-            const d_hkl = 1 / g_norm;
-            peaks.set(two_theta, { intensity: intensity_hkl, hkls: [hkl_to_store], d_hkl });
-            two_thetas.push(two_theta);
-        }
-    }
-    if (peaks.size === 0)
-        return { x: [], y: [] };
-    // Scale intensities so that the max intensity is 100, and filter by scaled tol
-    const max_intensity = Math.max(...Array.from(peaks.values()).map((peak) => peak.intensity));
-    const xs = [];
-    const ys = [];
-    const hkls_out = [];
-    const d_out = [];
-    const sorted_two_thetas = Array.from(peaks.keys()).sort((a, b) => a - b);
-    for (const angle of sorted_two_thetas) {
-        const item = peaks.get(angle);
-        if (!item)
-            continue;
-        const scaled_val = (item.intensity / max_intensity) * 100;
-        if (scaled_val > scaled_tol) {
-            xs.push(angle);
-            ys.push(item.intensity);
-            const fam = get_unique_families(item.hkls);
-            const fam_array = [];
-            for (const [repr_key, multiplicity] of fam.entries()) {
-                const repr = repr_key.split(`,`).map((num_str) => parseInt(num_str, 10));
-                fam_array.push({ hkl: repr, multiplicity });
-            }
-            hkls_out.push(fam_array);
-            d_out.push(item.d_hkl);
-        }
-    }
-    // Final scaling if requested
-    if (options.scaled ?? true) {
-        const max_y = Math.max(1, ...ys);
-        for (let idx = 0; idx < ys.length; idx++)
-            ys[idx] = (ys[idx] / max_y) * 100;
-    }
-    return { x: xs, y: ys, hkls: hkls_out, d_hkls: d_out };
-}
-// Process dropped file content and return an XRD pattern.
-// Supports both direct XRD data files (.xy, .brml) and structure files
-// (which are used to compute theoretical XRD patterns).
-export async function add_xrd_pattern(content, // File content as string or ArrayBuffer
-filename, // Name of the file (used to detect format)
-wavelength) {
-    // Object with pattern entry or error message
-    try {
-        // Check if file is a direct XRD data file (.xy, .brml)
-        if (is_xrd_data_file(filename)) {
-            // Convert ArrayBufferLike to ArrayBuffer if needed (handles SharedArrayBuffer)
-            let buffer_content;
-            if (typeof content === `string`) {
-                buffer_content = content;
-            }
-            else {
-                buffer_content = new Uint8Array(content).buffer;
-            }
-            const pattern = await parse_xrd_file(buffer_content, filename);
-            if (pattern && pattern.x.length > 0) {
-                return { pattern: { label: filename || `XRD data`, pattern } };
-            }
-            // Get base extension (strip .gz if present) for error message
-            const base_name = filename.toLowerCase().replace(/\.gz$/, ``);
-            const ext = base_name.split(`.`).pop()?.toUpperCase() || `XRD`;
-            const format_hints = {
-                XY: `Expected 2-column format: "2theta intensity" (space/tab/comma separated)`,
-                XYE: `Expected 3-column format: "2theta intensity error" (space/tab/comma separated)`,
-                BRML: `Expected Bruker RAW/BRML ZIP archive with RawData XML`,
-                XRDML: `Expected PANalytical XRDML format with dataPoints section`,
-            };
-            const hint = format_hints[ext] || `Check file format and encoding`;
-            return { error: `Failed to parse ${ext} file: no valid data found. ${hint}` };
-        }
-        // Otherwise, try to parse as a structure file and compute XRD pattern
-        const text_content = typeof content === `string` ? content : new TextDecoder().decode(content);
-        const parsed_structure = parse_any_structure(text_content, filename);
-        if (is_crystal(parsed_structure)) {
-            const pattern = compute_xrd_pattern(parsed_structure, {
-                wavelength: typeof wavelength === `number` ? wavelength : undefined,
-            });
-            return { pattern: { label: filename || `Dropped structure`, pattern } };
-        }
-        return {
-            error: `Cannot compute XRD: structure must have a lattice and atomic sites. ` +
-                `Supported formats: CIF, POSCAR, JSON, XYZ`,
-        };
-    }
-    catch (exc) {
-        return {
-            error: `Failed to compute XRD pattern: ${exc instanceof Error ? exc.message : String(exc)}`,
-        };
-    }
-}
-export const AVAILABLE_RADIATION = Object.keys(WAVELENGTHS);

package/dist/xrd/index.d.ts

@@ -1,37 +0,0 @@
-import type { CompositionType } from '../composition';
-import type { Vec3 } from '../math';
-import type { RadiationKey } from './calc-xrd';
-export * from './broadening';
-export * from './calc-xrd';
-export * from './parse';
-export { default as XrdPlot } from './XrdPlot.svelte';
-export type Hkl = Vec3;
-export type HklObj = {
-    hkl: Hkl;
-    multiplicity?: number;
-};
-export type RecipPoint = {
-    hkl: Hkl;
-    g_norm: number;
-};
-export type HklFormat = `compact` | `full` | null;
-export type XrdPattern = {
-    x: number[];
-    y: number[];
-    hkls?: HklObj[][];
-    d_hkls?: number[];
-};
-export type XrdOptions = {
-    wavelength?: number | RadiationKey;
-    symprec?: number;
-    debye_waller_factors?: CompositionType;
-    scaled?: boolean;
-    two_theta_range?: [number, number] | null;
-    peak_merge_tol?: number;
-    scaled_intensity_tol?: number;
-};
-export interface PatternEntry {
-    label: string;
-    pattern: XrdPattern;
-    color?: string;
-}

package/dist/xrd/index.js

@@ -1,4 +0,0 @@
-export * from './broadening';
-export * from './calc-xrd';
-export * from './parse';
-export { default as XrdPlot } from './XrdPlot.svelte';

package/dist/xrd/parse.d.ts

@@ -1,13 +0,0 @@
-import type { XrdPattern } from './index';
-export declare function parse_xy_file(content: string): XrdPattern | null;
-export declare function parse_xye_file(content: string): XrdPattern | null;
-export declare function parse_ras_file(content: string): XrdPattern | null;
-export declare function parse_uxd_file(content: string): XrdPattern | null;
-export declare function parse_gsas_file(content: string): XrdPattern | null;
-export declare function parse_bruker_raw_file(data: ArrayBuffer): XrdPattern | null;
-export declare function parse_brml_file(data: ArrayBuffer): Promise<XrdPattern | null>;
-export declare function parse_xrdml_file(content: string): XrdPattern | null;
-export declare const XRD_FILE_EXTENSIONS: readonly ["xy", "xye", "csv", "dat", "asc", "txt", "ras", "uxd", "gsas", "gsa", "gda", "fxye", "xrdml", "brml", "raw"];
-export type XrdFileExtension = (typeof XRD_FILE_EXTENSIONS)[number];
-export declare function parse_xrd_file(content: string | ArrayBuffer, filename: string): Promise<XrdPattern | null>;
-export declare function is_xrd_data_file(filename: string): boolean;