@spglib/moyo-wasm 0.4.4

package/README.md

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+# `moyo-wasm`
+
+WASM bindings for the Rust crystal symmetry library `moyo`, for use in web apps.
+
+## Usage
+
+Install from a registry or local path:
+
+```bash
+pnpm add moyo-wasm
+# or from cloned repo during development
+pnpm add file:/path/to/moyo/moyo-wasm/pkg
+```
+
+Initialize and analyze a structure:
+
+```ts
+import init, { analyze_cell, type MoyoDataset, type MoyoCell } from 'moyo-wasm'
+import wasm_url from 'moyo-wasm/moyo_wasm_bg.wasm?url'
+
+await init(wasm_url)
+
+// Build a JSON cell (row-major lattice matrix; fractional positions; atomic numbers)
+const cell: MoyoCell = {
+  lattice: { basis: [m00, m01, m02, m10, m11, m12, m20, m21, m22] },
+  positions: [[fx, fy, fz], ...],
+  numbers: [int, ...],
+}
+const result: MoyoDataset = analyze_cell(JSON.stringify(cell), 1e-4, 'Standard')
+console.log(`Space group: ${result.number} (${result.hm_symbol})`)
+console.log(`Hall number: ${result.hall_number}`)
+console.log(`Pearson: ${result.pearson_symbol}`)
+console.log(`# operations: ${result.operations.length}`)
+console.log(`Wyckoffs: ${result.wyckoffs.join(', ')}`)
+```
+
+The package exports TypeScript types generated from Rust (e.g. `MoyoDataset`).
+
+## Building
+
+```bash
+wasm-pack build moyo-wasm --target web --release
+```
+
+The package code ready for publishing is in `moyo-wasm/pkg`.
+
+## Testing
+
+```bash
+cd moyo-wasm
+# Install dependencies
+npm install
+# Run tests
+npm test
+```
+
+## Publish
+
+This crate is published as an [NPM package](https://www.npmjs.com/package/moyo-wasm) with CI when a new `git` tag is pushed to the Rust monorepo.

package/moyo_wasm.d.ts

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+/* tslint:disable */
+/* eslint-disable */
+/**
+ * Return a strongly-typed DTO; wasm-bindgen + tsify will emit .d.ts based on these Rust types
+ */
+export function analyze_cell(cell_json: string, symprec: number, setting: string): MoyoDataset;
+export interface MoyoCell {
+    lattice: Lattice;
+    positions: [number, number, number][];
+    numbers: number[];
+}
+
+export interface Lattice {
+    basis: [number, number, number, number, number, number, number, number, number];
+}
+
+export interface MoyoOperation {
+    rotation: [number, number, number, number, number, number, number, number, number];
+    translation: [number, number, number];
+}
+
+export type AngleTolerance = { type: "Radian"; value: number } | { type: "Default" };
+
+export interface MoyoDataset {
+    number: number;
+    hall_number: number;
+    hm_symbol: string;
+    operations: MoyoOperation[];
+    orbits: number[];
+    wyckoffs: string[];
+    site_symmetry_symbols: string[];
+    std_cell: MoyoCell;
+    std_linear: [number, number, number, number, number, number, number, number, number];
+    std_origin_shift: [number, number, number];
+    std_rotation_matrix: [number, number, number, number, number, number, number, number, number];
+    pearson_symbol: string;
+    prim_std_cell: MoyoCell;
+    prim_std_linear: [number, number, number, number, number, number, number, number, number];
+    prim_std_origin_shift: [number, number, number];
+    mapping_std_prim: number[];
+    symprec: number;
+    angle_tolerance: AngleTolerance;
+}
+
+
+export type InitInput = RequestInfo | URL | Response | BufferSource | WebAssembly.Module;
+
+export interface InitOutput {
+  readonly memory: WebAssembly.Memory;
+  readonly analyze_cell: (a: number, b: number, c: number, d: number, e: number) => [number, number, number];
+  readonly __wbindgen_export_0: WebAssembly.Table;
+  readonly __wbindgen_malloc: (a: number, b: number) => number;
+  readonly __wbindgen_realloc: (a: number, b: number, c: number, d: number) => number;
+  readonly __externref_table_dealloc: (a: number) => void;
+  readonly __wbindgen_start: () => void;
+}
+
+export type SyncInitInput = BufferSource | WebAssembly.Module;
+/**
+* Instantiates the given `module`, which can either be bytes or
+* a precompiled `WebAssembly.Module`.
+*
+* @param {{ module: SyncInitInput }} module - Passing `SyncInitInput` directly is deprecated.
+*
+* @returns {InitOutput}
+*/
+export function initSync(module: { module: SyncInitInput } | SyncInitInput): InitOutput;
+
+/**
+* If `module_or_path` is {RequestInfo} or {URL}, makes a request and
+* for everything else, calls `WebAssembly.instantiate` directly.
+*
+* @param {{ module_or_path: InitInput | Promise<InitInput> }} module_or_path - Passing `InitInput` directly is deprecated.
+*
+* @returns {Promise<InitOutput>}
+*/
+export default function __wbg_init (module_or_path?: { module_or_path: InitInput | Promise<InitInput> } | InitInput | Promise<InitInput>): Promise<InitOutput>;

package/moyo_wasm.js

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+let wasm;
+
+const cachedTextDecoder = (typeof TextDecoder !== 'undefined' ? new TextDecoder('utf-8', { ignoreBOM: true, fatal: true }) : { decode: () => { throw Error('TextDecoder not available') } } );
+
+if (typeof TextDecoder !== 'undefined') { cachedTextDecoder.decode(); };
+
+let cachedUint8ArrayMemory0 = null;
+
+function getUint8ArrayMemory0() {
+    if (cachedUint8ArrayMemory0 === null || cachedUint8ArrayMemory0.byteLength === 0) {
+        cachedUint8ArrayMemory0 = new Uint8Array(wasm.memory.buffer);
+    }
+    return cachedUint8ArrayMemory0;
+}
+
+function getStringFromWasm0(ptr, len) {
+    ptr = ptr >>> 0;
+    return cachedTextDecoder.decode(getUint8ArrayMemory0().subarray(ptr, ptr + len));
+}
+
+let WASM_VECTOR_LEN = 0;
+
+const cachedTextEncoder = (typeof TextEncoder !== 'undefined' ? new TextEncoder('utf-8') : { encode: () => { throw Error('TextEncoder not available') } } );
+
+const encodeString = (typeof cachedTextEncoder.encodeInto === 'function'
+    ? function (arg, view) {
+    return cachedTextEncoder.encodeInto(arg, view);
+}
+    : function (arg, view) {
+    const buf = cachedTextEncoder.encode(arg);
+    view.set(buf);
+    return {
+        read: arg.length,
+        written: buf.length
+    };
+});
+
+function passStringToWasm0(arg, malloc, realloc) {
+
+    if (realloc === undefined) {
+        const buf = cachedTextEncoder.encode(arg);
+        const ptr = malloc(buf.length, 1) >>> 0;
+        getUint8ArrayMemory0().subarray(ptr, ptr + buf.length).set(buf);
+        WASM_VECTOR_LEN = buf.length;
+        return ptr;
+    }
+
+    let len = arg.length;
+    let ptr = malloc(len, 1) >>> 0;
+
+    const mem = getUint8ArrayMemory0();
+
+    let offset = 0;
+
+    for (; offset < len; offset++) {
+        const code = arg.charCodeAt(offset);
+        if (code > 0x7F) break;
+        mem[ptr + offset] = code;
+    }
+
+    if (offset !== len) {
+        if (offset !== 0) {
+            arg = arg.slice(offset);
+        }
+        ptr = realloc(ptr, len, len = offset + arg.length * 3, 1) >>> 0;
+        const view = getUint8ArrayMemory0().subarray(ptr + offset, ptr + len);
+        const ret = encodeString(arg, view);
+
+        offset += ret.written;
+        ptr = realloc(ptr, len, offset, 1) >>> 0;
+    }
+
+    WASM_VECTOR_LEN = offset;
+    return ptr;
+}
+
+function takeFromExternrefTable0(idx) {
+    const value = wasm.__wbindgen_export_0.get(idx);
+    wasm.__externref_table_dealloc(idx);
+    return value;
+}
+/**
+ * Return a strongly-typed DTO; wasm-bindgen + tsify will emit .d.ts based on these Rust types
+ * @param {string} cell_json
+ * @param {number} symprec
+ * @param {string} setting
+ * @returns {MoyoDataset}
+ */
+export function analyze_cell(cell_json, symprec, setting) {
+    const ptr0 = passStringToWasm0(cell_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+    const len0 = WASM_VECTOR_LEN;
+    const ptr1 = passStringToWasm0(setting, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+    const len1 = WASM_VECTOR_LEN;
+    const ret = wasm.analyze_cell(ptr0, len0, symprec, ptr1, len1);
+    if (ret[2]) {
+        throw takeFromExternrefTable0(ret[1]);
+    }
+    return takeFromExternrefTable0(ret[0]);
+}
+
+async function __wbg_load(module, imports) {
+    if (typeof Response === 'function' && module instanceof Response) {
+        if (typeof WebAssembly.instantiateStreaming === 'function') {
+            try {
+                return await WebAssembly.instantiateStreaming(module, imports);
+
+            } catch (e) {
+                if (module.headers.get('Content-Type') != 'application/wasm') {
+                    console.warn("`WebAssembly.instantiateStreaming` failed because your server does not serve Wasm with `application/wasm` MIME type. Falling back to `WebAssembly.instantiate` which is slower. Original error:\n", e);
+
+                } else {
+                    throw e;
+                }
+            }
+        }
+
+        const bytes = await module.arrayBuffer();
+        return await WebAssembly.instantiate(bytes, imports);
+
+    } else {
+        const instance = await WebAssembly.instantiate(module, imports);
+
+        if (instance instanceof WebAssembly.Instance) {
+            return { instance, module };
+
+        } else {
+            return instance;
+        }
+    }
+}
+
+function __wbg_get_imports() {
+    const imports = {};
+    imports.wbg = {};
+    imports.wbg.__wbg_new_405e22f390576ce2 = function() {
+        const ret = new Object();
+        return ret;
+    };
+    imports.wbg.__wbg_new_78feb108b6472713 = function() {
+        const ret = new Array();
+        return ret;
+    };
+    imports.wbg.__wbg_set_37837023f3d740e8 = function(arg0, arg1, arg2) {
+        arg0[arg1 >>> 0] = arg2;
+    };
+    imports.wbg.__wbg_set_3807d5f0bfc24aa7 = function(arg0, arg1, arg2) {
+        arg0[arg1] = arg2;
+    };
+    imports.wbg.__wbindgen_bigint_from_u64 = function(arg0) {
+        const ret = BigInt.asUintN(64, arg0);
+        return ret;
+    };
+    imports.wbg.__wbindgen_error_new = function(arg0, arg1) {
+        const ret = new Error(getStringFromWasm0(arg0, arg1));
+        return ret;
+    };
+    imports.wbg.__wbindgen_init_externref_table = function() {
+        const table = wasm.__wbindgen_export_0;
+        const offset = table.grow(4);
+        table.set(0, undefined);
+        table.set(offset + 0, undefined);
+        table.set(offset + 1, null);
+        table.set(offset + 2, true);
+        table.set(offset + 3, false);
+        ;
+    };
+    imports.wbg.__wbindgen_number_new = function(arg0) {
+        const ret = arg0;
+        return ret;
+    };
+    imports.wbg.__wbindgen_string_new = function(arg0, arg1) {
+        const ret = getStringFromWasm0(arg0, arg1);
+        return ret;
+    };
+    imports.wbg.__wbindgen_throw = function(arg0, arg1) {
+        throw new Error(getStringFromWasm0(arg0, arg1));
+    };
+
+    return imports;
+}
+
+function __wbg_init_memory(imports, memory) {
+
+}
+
+function __wbg_finalize_init(instance, module) {
+    wasm = instance.exports;
+    __wbg_init.__wbindgen_wasm_module = module;
+    cachedUint8ArrayMemory0 = null;
+
+
+    wasm.__wbindgen_start();
+    return wasm;
+}
+
+function initSync(module) {
+    if (wasm !== undefined) return wasm;
+
+
+    if (typeof module !== 'undefined') {
+        if (Object.getPrototypeOf(module) === Object.prototype) {
+            ({module} = module)
+        } else {
+            console.warn('using deprecated parameters for `initSync()`; pass a single object instead')
+        }
+    }
+
+    const imports = __wbg_get_imports();
+
+    __wbg_init_memory(imports);
+
+    if (!(module instanceof WebAssembly.Module)) {
+        module = new WebAssembly.Module(module);
+    }
+
+    const instance = new WebAssembly.Instance(module, imports);
+
+    return __wbg_finalize_init(instance, module);
+}
+
+async function __wbg_init(module_or_path) {
+    if (wasm !== undefined) return wasm;
+
+
+    if (typeof module_or_path !== 'undefined') {
+        if (Object.getPrototypeOf(module_or_path) === Object.prototype) {
+            ({module_or_path} = module_or_path)
+        } else {
+            console.warn('using deprecated parameters for the initialization function; pass a single object instead')
+        }
+    }
+
+    if (typeof module_or_path === 'undefined') {
+        module_or_path = new URL('moyo_wasm_bg.wasm', import.meta.url);
+    }
+    const imports = __wbg_get_imports();
+
+    if (typeof module_or_path === 'string' || (typeof Request === 'function' && module_or_path instanceof Request) || (typeof URL === 'function' && module_or_path instanceof URL)) {
+        module_or_path = fetch(module_or_path);
+    }
+
+    __wbg_init_memory(imports);
+
+    const { instance, module } = await __wbg_load(await module_or_path, imports);
+
+    return __wbg_finalize_init(instance, module);
+}
+
+export { initSync };
+export default __wbg_init;

package/package.json

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+{
+  "name": "@spglib/moyo-wasm",
+  "type": "module",
+  "description": "WebAssembly bindings for moyo crystal symmetry analysis",
+  "version": "0.4.4",
+  "license": "MIT OR Apache-2.0",
+  "repository": {
+    "type": "git",
+    "url": "https://github.com/spglib/moyo"
+  },
+  "files": [
+    "moyo_wasm_bg.wasm",
+    "moyo_wasm.js",
+    "moyo_wasm.d.ts"
+  ],
+  "main": "moyo_wasm.js",
+  "types": "moyo_wasm.d.ts",
+  "sideEffects": [
+    "./snippets/*"
+  ]
+}