@molcrafts/molrs 0.0.1 → 0.0.5

package/molrs.js

@@ -1,1403 +1,9 @@
 /* @ts-self-types="./molrs.d.ts" */
 
-/**
- * A block containing columnar data.
- */
-export class Block {
-    static __wrap(ptr) {
-        ptr = ptr >>> 0;
-        const obj = Object.create(Block.prototype);
-        obj.__wbg_ptr = ptr;
-        BlockFinalization.register(obj, obj.__wbg_ptr, obj);
-        return obj;
-    }
-    __destroy_into_raw() {
-        const ptr = this.__wbg_ptr;
-        this.__wbg_ptr = 0;
-        BlockFinalization.unregister(this);
-        return ptr;
-    }
-    free() {
-        const ptr = this.__destroy_into_raw();
-        wasm.__wbg_block_free(ptr, 0);
-    }
-    /**
-     * Gets an f32 column as Float32Array.
-     * @param {string} key
-     * @returns {Float32Array}
-     */
-    getColumnF32(key) {
-        const ptr0 = passStringToWasm0(key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.block_getColumnF32(this.__wbg_ptr, ptr0, len0);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return takeFromExternrefTable0(ret[0]);
-    }
-    /**
-     * Gets an f32 column with shape (for compatibility).
-     * @param {string} key
-     * @returns {any}
-     */
-    getColumnF32WithShape(key) {
-        const ptr0 = passStringToWasm0(key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.block_getColumnF32WithShape(this.__wbg_ptr, ptr0, len0);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return takeFromExternrefTable0(ret[0]);
-    }
-    /**
-     * Gets an i64 column.
-     * @param {string} key
-     * @returns {BigInt64Array}
-     */
-    getColumnI64(key) {
-        const ptr0 = passStringToWasm0(key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.block_getColumnI64(this.__wbg_ptr, ptr0, len0);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return takeFromExternrefTable0(ret[0]);
-    }
-    /**
-     * Gets a string column.
-     * @param {string} key
-     * @returns {Array<any> | undefined}
-     */
-    getColumnStrings(key) {
-        const ptr0 = passStringToWasm0(key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.block_getColumnStrings(this.__wbg_ptr, ptr0, len0);
-        return ret;
-    }
-    /**
-     * Gets a u32 column.
-     * @param {string} key
-     * @returns {Uint32Array}
-     */
-    getColumnU32(key) {
-        const ptr0 = passStringToWasm0(key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.block_getColumnU32(this.__wbg_ptr, ptr0, len0);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return takeFromExternrefTable0(ret[0]);
-    }
-    /**
-     * Gets a u8 column.
-     * @param {string} key
-     * @returns {Uint8Array | undefined}
-     */
-    getColumnU8(key) {
-        const ptr0 = passStringToWasm0(key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.block_getColumnU8(this.__wbg_ptr, ptr0, len0);
-        return ret;
-    }
-    /**
-     * Gets column keys.
-     * @returns {Array<any>}
-     */
-    keys() {
-        const ret = wasm.block_keys(this.__wbg_ptr);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return takeFromExternrefTable0(ret[0]);
-    }
-    /**
-     * Gets the number of columns.
-     * @returns {number}
-     */
-    len() {
-        const ret = wasm.block_len(this.__wbg_ptr);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return ret[0] >>> 0;
-    }
-    /**
-     * Creates a new empty Block.
-     */
-    constructor() {
-        const ret = wasm.block_new();
-        this.__wbg_ptr = ret >>> 0;
-        BlockFinalization.register(this, this.__wbg_ptr, this);
-        return this;
-    }
-    /**
-     * Gets the number of rows.
-     * @returns {number}
-     */
-    nrows() {
-        const ret = wasm.block_nrows(this.__wbg_ptr);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return ret[0] >>> 0;
-    }
-    /**
-     * Renames a column.
-     * @param {string} old_key
-     * @param {string} new_key
-     * @returns {boolean}
-     */
-    renameColumn(old_key, new_key) {
-        const ptr0 = passStringToWasm0(old_key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ptr1 = passStringToWasm0(new_key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len1 = WASM_VECTOR_LEN;
-        const ret = wasm.block_renameColumn(this.__wbg_ptr, ptr0, len0, ptr1, len1);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return ret[0] !== 0;
-    }
-    /**
-     * Sets an f32 column.
-     * @param {string} key
-     * @param {Float32Array} data
-     * @param {Uint32Array | null} [shape]
-     */
-    setColumnF32(key, data, shape) {
-        const ptr0 = passStringToWasm0(key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.block_setColumnF32(this.__wbg_ptr, ptr0, len0, data, isLikeNone(shape) ? 0 : addToExternrefTable0(shape));
-        if (ret[1]) {
-            throw takeFromExternrefTable0(ret[0]);
-        }
-    }
-    /**
-     * Sets an i64 column.
-     * @param {string} key
-     * @param {BigInt64Array} data
-     * @param {Uint32Array | null} [_shape]
-     */
-    setColumnI64(key, data, _shape) {
-        const ptr0 = passStringToWasm0(key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.block_setColumnI64(this.__wbg_ptr, ptr0, len0, data, isLikeNone(_shape) ? 0 : addToExternrefTable0(_shape));
-        if (ret[1]) {
-            throw takeFromExternrefTable0(ret[0]);
-        }
-    }
-    /**
-     * Sets a string column.
-     * @param {string} key
-     * @param {Array<any>} data
-     * @param {Uint32Array | null} [_shape]
-     */
-    setColumnStrings(key, data, _shape) {
-        const ptr0 = passStringToWasm0(key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.block_setColumnStrings(this.__wbg_ptr, ptr0, len0, data, isLikeNone(_shape) ? 0 : addToExternrefTable0(_shape));
-        if (ret[1]) {
-            throw takeFromExternrefTable0(ret[0]);
-        }
-    }
-    /**
-     * Sets a u32 column.
-     * @param {string} key
-     * @param {Uint32Array} data
-     * @param {Uint32Array | null} [_shape]
-     */
-    setColumnU32(key, data, _shape) {
-        const ptr0 = passStringToWasm0(key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.block_setColumnU32(this.__wbg_ptr, ptr0, len0, data, isLikeNone(_shape) ? 0 : addToExternrefTable0(_shape));
-        if (ret[1]) {
-            throw takeFromExternrefTable0(ret[0]);
-        }
-    }
-    /**
-     * Sets a u8 column.
-     * @param {string} key
-     * @param {Uint8Array} data
-     * @param {Uint32Array | null} [_shape]
-     */
-    setColumnU8(key, data, _shape) {
-        const ptr0 = passStringToWasm0(key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.block_setColumnU8(this.__wbg_ptr, ptr0, len0, data, isLikeNone(_shape) ? 0 : addToExternrefTable0(_shape));
-        if (ret[1]) {
-            throw takeFromExternrefTable0(ret[0]);
-        }
-    }
-}
-if (Symbol.dispose) Block.prototype[Symbol.dispose] = Block.prototype.free;
-
-/**
- * Simulation box defining the periodic boundary conditions and coordinate transformations.
- *
- * Represents a parallelepiped defined by a 3x3 matrix `h` and an origin.
- * Supports periodic boundary conditions (PBC) independently in x, y, z directions.
- */
-export class Box {
-    static __wrap(ptr) {
-        ptr = ptr >>> 0;
-        const obj = Object.create(Box.prototype);
-        obj.__wbg_ptr = ptr;
-        BoxFinalization.register(obj, obj.__wbg_ptr, obj);
-        return obj;
-    }
-    __destroy_into_raw() {
-        const ptr = this.__wbg_ptr;
-        this.__wbg_ptr = 0;
-        BoxFinalization.unregister(this);
-        return ptr;
-    }
-    free() {
-        const ptr = this.__destroy_into_raw();
-        wasm.__wbg_box_free(ptr, 0);
-    }
-    /**
-     * Create a cubic box.
-     *
-     * # Arguments
-     * * `a` - Side length of the cube
-     * * `origin` - 3D origin vector as Float32Array with 3 elements
-     * * `pbc_x`, `pbc_y`, `pbc_z` - Periodic boundary conditions for each axis
-     * @param {number} a
-     * @param {Float32Array} origin
-     * @param {boolean} pbc_x
-     * @param {boolean} pbc_y
-     * @param {boolean} pbc_z
-     * @returns {Box}
-     */
-    static cube(a, origin, pbc_x, pbc_y, pbc_z) {
-        const ret = wasm.box_cube(a, origin, pbc_x, pbc_y, pbc_z);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return Box.__wrap(ret[0]);
-    }
-    /**
-     * Calculate displacement vectors between two sets of coordinates.
-     *
-     * # Arguments
-     * * `a` - F32View with Nx3 coordinates
-     * * `b` - F32View with Nx3 coordinates
-     * * `minimum_image` - If true, apply minimum image convention
-     *
-     * # Returns
-     * F32View with Nx3 displacement vectors (b - a)
-     * @param {F32View} a
-     * @param {F32View} b
-     * @param {boolean} minimum_image
-     * @returns {F32View}
-     */
-    delta(a, b, minimum_image) {
-        _assertClass(a, F32View);
-        _assertClass(b, F32View);
-        const ret = wasm.box_delta(this.__wbg_ptr, a.__wbg_ptr, b.__wbg_ptr, minimum_image);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return F32View.__wrap(ret[0]);
-    }
-    /**
-     * @returns {F32View}
-     */
-    get_corners() {
-        const ret = wasm.box_get_corners(this.__wbg_ptr);
-        return F32View.__wrap(ret);
-    }
-    /**
-     * Get the box edge lengths as F32View [lx, ly, lz].
-     * @returns {F32View}
-     */
-    lengths() {
-        const ret = wasm.box_lengths(this.__wbg_ptr);
-        return F32View.__wrap(ret);
-    }
-    /**
-     * Create a new box from a 3x3 matrix and origin.
-     *
-     * # Arguments
-     * * `h` - 3x3 matrix as Float32Array with 9 elements (row-major: [h00, h01, h02, h10, ...])
-     * * `origin` - 3D origin vector as Float32Array with 3 elements [x, y, z]
-     * * `pbc_x`, `pbc_y`, `pbc_z` - Periodic boundary conditions for each axis
-     * @param {Float32Array} h
-     * @param {Float32Array} origin
-     * @param {boolean} pbc_x
-     * @param {boolean} pbc_y
-     * @param {boolean} pbc_z
-     */
-    constructor(h, origin, pbc_x, pbc_y, pbc_z) {
-        const ret = wasm.box_new(h, origin, pbc_x, pbc_y, pbc_z);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        this.__wbg_ptr = ret[0] >>> 0;
-        BoxFinalization.register(this, this.__wbg_ptr, this);
-        return this;
-    }
-    /**
-     * Get the box origin as F32View [x, y, z].
-     * @returns {F32View}
-     */
-    origin() {
-        const ret = wasm.box_origin(this.__wbg_ptr);
-        return F32View.__wrap(ret);
-    }
-    /**
-     * Create an orthorhombic box (rectangular box with axis-aligned edges).
-     *
-     * # Arguments
-     * * `lengths` - Box dimensions as Float32Array with 3 elements [lx, ly, lz]
-     * * `origin` - 3D origin vector as Float32Array with 3 elements
-     * * `pbc_x`, `pbc_y`, `pbc_z` - Periodic boundary conditions for each axis
-     * @param {Float32Array} lengths
-     * @param {Float32Array} origin
-     * @param {boolean} pbc_x
-     * @param {boolean} pbc_y
-     * @param {boolean} pbc_z
-     * @returns {Box}
-     */
-    static ortho(lengths, origin, pbc_x, pbc_y, pbc_z) {
-        const ret = wasm.box_ortho(lengths, origin, pbc_x, pbc_y, pbc_z);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return Box.__wrap(ret[0]);
-    }
-    /**
-     * Get the box tilt factors as F32View [xy, xz, yz].
-     * @returns {F32View}
-     */
-    tilts() {
-        const ret = wasm.box_tilts(this.__wbg_ptr);
-        return F32View.__wrap(ret);
-    }
-    /**
-     * Convert fractional coordinates to Cartesian coordinates.
-     *
-     * # Arguments
-     * * `coords` - F32View with Nx3 coordinates
-     *
-     * # Returns
-     * F32View with Nx3 Cartesian coordinates
-     * @param {F32View} coords
-     * @returns {F32View}
-     */
-    to_cart(coords) {
-        _assertClass(coords, F32View);
-        const ret = wasm.box_to_cart(this.__wbg_ptr, coords.__wbg_ptr);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return F32View.__wrap(ret[0]);
-    }
-    /**
-     * Convert Cartesian coordinates to fractional coordinates.
-     *
-     * # Arguments
-     * * `coords` - F32View with Nx3 coordinates
-     *
-     * # Returns
-     * F32View with Nx3 fractional coordinates
-     * @param {F32View} coords
-     * @returns {F32View}
-     */
-    to_frac(coords) {
-        _assertClass(coords, F32View);
-        const ret = wasm.box_to_frac(this.__wbg_ptr, coords.__wbg_ptr);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return F32View.__wrap(ret[0]);
-    }
-    /**
-     * Get the volume of the box.
-     * @returns {number}
-     */
-    volume() {
-        const ret = wasm.box_volume(this.__wbg_ptr);
-        return ret;
-    }
-    /**
-     * Wrap coordinates into the primary simulation box.
-     *
-     * # Arguments
-     * * `coords` - F32View with Nx3 coordinates
-     *
-     * # Returns
-     * F32View with Nx3 wrapped coordinates
-     * @param {F32View} coords
-     * @returns {F32View}
-     */
-    wrap(coords) {
-        _assertClass(coords, F32View);
-        const ret = wasm.box_wrap(this.__wbg_ptr, coords.__wbg_ptr);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return F32View.__wrap(ret[0]);
-    }
-}
-if (Symbol.dispose) Box.prototype[Symbol.dispose] = Box.prototype.free;
-
-/**
- * Zero-copy view over f32 array data shared between JavaScript and Rust.
- *
- * `F32View` provides a safe wrapper around f32 arrays that can be accessed from both
- * JavaScript and Rust without copying data. The data lives in WASM linear memory,
- * and JavaScript can create typed array views over this memory using `ptr()` and `len()`.
- *
- * # Memory Model
- *
- * - Data is stored in `Vec<f32>` in WASM linear memory (Rust heap)
- * - JavaScript creates `Float32Array` views using `ptr()` and `len()`
- * - No copying occurs when JavaScript reads/writes via these views
- * - **Important**: Pointers are only valid until WASM memory grows
- *
- * # Safety Considerations
- *
- * - Views should be short-lived (don't store across async boundaries)
- * - JavaScript must not modify the underlying array while Rust holds a reference
- * - WASM memory can grow/relocate, invalidating pointers
- *
- * # Example
- *
- * ```javascript
- * // Create a view for 1000 atoms with 3D coordinates
- * const view = new F32View([1000, 3]);
- *
- * // Access the data from JavaScript without copying
- * const mem = new Float32Array(wasmMemory.buffer, view.ptr(), view.len());
- * mem.set([1.0, 2.0, 3.0, ...]); // Write data
- *
- * // Pass to Rust for zero-copy processing
- * const wrapped = box.wrap(view);
- *
- * // Read results without copying
- * const result = new Float32Array(wasmMemory.buffer, wrapped.ptr(), wrapped.len());
- * ```
- */
-export class F32View {
-    static __wrap(ptr) {
-        ptr = ptr >>> 0;
-        const obj = Object.create(F32View.prototype);
-        obj.__wbg_ptr = ptr;
-        F32ViewFinalization.register(obj, obj.__wbg_ptr, obj);
-        return obj;
-    }
-    __destroy_into_raw() {
-        const ptr = this.__wbg_ptr;
-        this.__wbg_ptr = 0;
-        F32ViewFinalization.unregister(this);
-        return ptr;
-    }
-    free() {
-        const ptr = this.__destroy_into_raw();
-        wasm.__wbg_f32view_free(ptr, 0);
-    }
-    /**
-     * Get the total number of elements in the view.
-     *
-     * Returns the product of all shape dimensions.
-     * @returns {number}
-     */
-    len() {
-        const ret = wasm.f32view_len(this.__wbg_ptr);
-        return ret >>> 0;
-    }
-    /**
-     * Create a new F32View with the given shape.
-     *
-     * Allocates a buffer in WASM linear memory with size = product of shape dimensions.
-     *
-     * # Arguments
-     *
-     * * `shape` - Dimensions of the array (e.g., `[1000, 3]` for Nx3 coordinates)
-     *
-     * # Example
-     *
-     * ```javascript
-     * const view = new F32View([100, 3]); // 100 atoms, 3D coordinates
-     * console.log(view.len()); // 300
-     * ```
-     * @param {Uint32Array} shape
-     */
-    constructor(shape) {
-        const ptr0 = passArray32ToWasm0(shape, wasm.__wbindgen_malloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.f32view_new(ptr0, len0);
-        this.__wbg_ptr = ret >>> 0;
-        F32ViewFinalization.register(this, this.__wbg_ptr, this);
-        return this;
-    }
-    /**
-     * Get a pointer to the underlying data for zero-copy access from JavaScript.
-     *
-     * # Returns
-     *
-     * A raw pointer to the first element of the data buffer.
-     *
-     * # Safety
-     *
-     * The pointer is only valid until the next WASM memory allocation.
-     * JavaScript should create typed array views immediately and not store the pointer.
-     *
-     * # Example
-     *
-     * ```javascript
-     * const view = new F32View([10, 3]);
-     * const ptr = view.ptr();
-     * const arr = new Float32Array(wasmMemory.buffer, ptr, view.len());
-     * ```
-     * @returns {number}
-     */
-    ptr() {
-        const ret = wasm.f32view_ptr(this.__wbg_ptr);
-        return ret >>> 0;
-    }
-    /**
-     * Get the shape of the array (cloned for JS boundary).
-     * @returns {Uint32Array}
-     */
-    shape() {
-        const ret = wasm.f32view_shape(this.__wbg_ptr);
-        var v1 = getArrayU32FromWasm0(ret[0], ret[1]).slice();
-        wasm.__wbindgen_free(ret[0], ret[1] * 4, 4);
-        return v1;
-    }
-    /**
-     * Compute the sum of all elements (for testing).
-     *
-     * # Returns
-     *
-     * Sum of all elements in the view.
-     * @returns {number}
-     */
-    sum() {
-        const ret = wasm.f32view_sum(this.__wbg_ptr);
-        return ret;
-    }
-    /**
-     * Export the view data as a JavaScript Float32Array.
-     *
-     * Creates a new JavaScript array and copies the data.
-     * Use this for compatibility or when you need an owned JavaScript array.
-     *
-     * # Returns
-     *
-     * A new Float32Array containing a copy of the data.
-     *
-     * # Example
-     *
-     * ```javascript
-     * const view = new F32View([2, 3]);
-     * // ... populate view ...
-     * const arr = view.to_js_array(); // Copies data
-     * ```
-     * @returns {Float32Array}
-     */
-    to_js_array() {
-        const ret = wasm.f32view_to_js_array(this.__wbg_ptr);
-        return ret;
-    }
-    /**
-     * Write data from a JavaScript Float32Array into this view.
-     *
-     * Copies data from the JavaScript array into WASM memory once.
-     * The array length must match the view's total size.
-     *
-     * # Arguments
-     *
-     * * `arr` - JavaScript Float32Array to copy from
-     *
-     * # Errors
-     *
-     * Returns an error if the array length doesn't match the view size.
-     *
-     * # Example
-     *
-     * ```javascript
-     * const view = new F32View([2, 3]);
-     * const data = new Float32Array([1, 2, 3, 4, 5, 6]);
-     * view.write_from(data);
-     * ```
-     * @param {Float32Array} arr
-     */
-    write_from(arr) {
-        const ret = wasm.f32view_write_from(this.__wbg_ptr, arr);
-        if (ret[1]) {
-            throw takeFromExternrefTable0(ret[0]);
-        }
-    }
-}
-if (Symbol.dispose) F32View.prototype[Symbol.dispose] = F32View.prototype.free;
-
-/**
- * A frame that contains blocks of data.
- */
-export class Frame {
-    static __wrap(ptr) {
-        ptr = ptr >>> 0;
-        const obj = Object.create(Frame.prototype);
-        obj.__wbg_ptr = ptr;
-        FrameFinalization.register(obj, obj.__wbg_ptr, obj);
-        return obj;
-    }
-    __destroy_into_raw() {
-        const ptr = this.__wbg_ptr;
-        this.__wbg_ptr = 0;
-        FrameFinalization.unregister(this);
-        return ptr;
-    }
-    free() {
-        const ptr = this.__destroy_into_raw();
-        wasm.__wbg_frame_free(ptr, 0);
-    }
-    /**
-     * Clears all blocks from the frame.
-     */
-    clear() {
-        const ret = wasm.frame_clear(this.__wbg_ptr);
-        if (ret[1]) {
-            throw takeFromExternrefTable0(ret[0]);
-        }
-    }
-    /**
-     * Creates a new block in this frame.
-     * @param {string} key
-     * @returns {Block}
-     */
-    createBlock(key) {
-        const ptr0 = passStringToWasm0(key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.frame_createBlock(this.__wbg_ptr, ptr0, len0);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return Block.__wrap(ret[0]);
-    }
-    /**
-     * Drops this frame from the store.
-     */
-    drop() {
-        const ret = wasm.frame_drop(this.__wbg_ptr);
-        if (ret[1]) {
-            throw takeFromExternrefTable0(ret[0]);
-        }
-    }
-    /**
-     * Gets an existing block by key.
-     * @param {string} key
-     * @returns {Block | undefined}
-     */
-    getBlock(key) {
-        const ptr0 = passStringToWasm0(key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.frame_getBlock(this.__wbg_ptr, ptr0, len0);
-        return ret === 0 ? undefined : Block.__wrap(ret);
-    }
-    /**
-     * Inserts a block into the frame (takes ownership).
-     * @param {string} key
-     * @param {Block} block
-     */
-    insertBlock(key, block) {
-        const ptr0 = passStringToWasm0(key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        _assertClass(block, Block);
-        var ptr1 = block.__destroy_into_raw();
-        const ret = wasm.frame_insertBlock(this.__wbg_ptr, ptr0, len0, ptr1);
-        if (ret[1]) {
-            throw takeFromExternrefTable0(ret[0]);
-        }
-    }
-    /**
-     * Creates a new Frame.
-     */
-    constructor() {
-        const ret = wasm.frame_new();
-        this.__wbg_ptr = ret >>> 0;
-        FrameFinalization.register(this, this.__wbg_ptr, this);
-        return this;
-    }
-    /**
-     * Removes a block from the frame.
-     * @param {string} key
-     */
-    removeBlock(key) {
-        const ptr0 = passStringToWasm0(key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.frame_removeBlock(this.__wbg_ptr, ptr0, len0);
-        if (ret[1]) {
-            throw takeFromExternrefTable0(ret[0]);
-        }
-    }
-    /**
-     * Renames a block in the frame.
-     * @param {string} old_key
-     * @param {string} new_key
-     * @returns {boolean}
-     */
-    renameBlock(old_key, new_key) {
-        const ptr0 = passStringToWasm0(old_key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ptr1 = passStringToWasm0(new_key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len1 = WASM_VECTOR_LEN;
-        const ret = wasm.frame_renameBlock(this.__wbg_ptr, ptr0, len0, ptr1, len1);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return ret[0] !== 0;
-    }
-    /**
-     * Renames a column in the specified block.
-     * @param {string} block_key
-     * @param {string} old_col_key
-     * @param {string} new_col_key
-     * @returns {boolean}
-     */
-    renameColumn(block_key, old_col_key, new_col_key) {
-        const ptr0 = passStringToWasm0(block_key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ptr1 = passStringToWasm0(old_col_key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len1 = WASM_VECTOR_LEN;
-        const ptr2 = passStringToWasm0(new_col_key, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len2 = WASM_VECTOR_LEN;
-        const ret = wasm.frame_renameColumn(this.__wbg_ptr, ptr0, len0, ptr1, len1, ptr2, len2);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return ret[0] !== 0;
-    }
-    /**
-     * Sets the simulation box.
-     * @param {Box | null} [simbox]
-     */
-    set simbox(simbox) {
-        let ptr0 = 0;
-        if (!isLikeNone(simbox)) {
-            _assertClass(simbox, Box);
-            ptr0 = simbox.__destroy_into_raw();
-        }
-        wasm.frame_set_simbox(this.__wbg_ptr, ptr0);
-    }
-    /**
-     * Gets the simulation box (if any).
-     * @returns {Box | undefined}
-     */
-    get simbox() {
-        const ret = wasm.frame_simbox(this.__wbg_ptr);
-        return ret === 0 ? undefined : Box.__wrap(ret);
-    }
-}
-if (Symbol.dispose) Frame.prototype[Symbol.dispose] = Frame.prototype.free;
-
-/**
- * LAMMPS data file reader for WASM
- *
- * # Example (JavaScript)
- * ```js
- * const reader = new LammpsReader(fileContent);
- * const frame = reader.read(0);
- * ```
- */
-export class LammpsReader {
-    __destroy_into_raw() {
-        const ptr = this.__wbg_ptr;
-        this.__wbg_ptr = 0;
-        LammpsReaderFinalization.unregister(this);
-        return ptr;
-    }
-    free() {
-        const ptr = this.__destroy_into_raw();
-        wasm.__wbg_lammpsreader_free(ptr, 0);
-    }
-    /**
-     * Returns the number of frames (always 1 for LAMMPS).
-     * @returns {number}
-     * @returns {number}
-     */
-    len() {
-        const ret = wasm.lammpsreader_len(this.__wbg_ptr);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return ret[0] >>> 0;
-    }
-    /**
-     * @param {string} content
-     */
-    constructor(content) {
-        const ptr0 = passStringToWasm0(content, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.lammpsreader_new(ptr0, len0);
-        this.__wbg_ptr = ret >>> 0;
-        LammpsReaderFinalization.register(this, this.__wbg_ptr, this);
-        return this;
-    }
-    /**
-     * Reads a frame at the given step.
-     * @param {number} step - Frame index (LAMMPS only supports single frame, so only step=0 is valid)
-     * @returns {Frame | undefined}
-     * @param {number} step
-     * @returns {Frame | undefined}
-     */
-    read(step) {
-        const ret = wasm.lammpsreader_read(this.__wbg_ptr, step);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return ret[0] === 0 ? undefined : Frame.__wrap(ret[0]);
-    }
-}
-if (Symbol.dispose) LammpsReader.prototype[Symbol.dispose] = LammpsReader.prototype.free;
-
-/**
- * PDB file reader for WASM
- *
- * # Example (JavaScript)
- * ```js
- * const reader = new PdbReader(fileContent);
- * const frame = reader.read(0);
- * ```
- */
-export class PdbReader {
-    __destroy_into_raw() {
-        const ptr = this.__wbg_ptr;
-        this.__wbg_ptr = 0;
-        PdbReaderFinalization.unregister(this);
-        return ptr;
-    }
-    free() {
-        const ptr = this.__destroy_into_raw();
-        wasm.__wbg_pdbreader_free(ptr, 0);
-    }
-    /**
-     * Returns the number of frames (always 1 for PDB).
-     * @returns {number}
-     * @returns {number}
-     */
-    len() {
-        const ret = wasm.pdbreader_len(this.__wbg_ptr);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return ret[0] >>> 0;
-    }
-    /**
-     * @param {string} content
-     */
-    constructor(content) {
-        const ptr0 = passStringToWasm0(content, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.pdbreader_new(ptr0, len0);
-        this.__wbg_ptr = ret >>> 0;
-        PdbReaderFinalization.register(this, this.__wbg_ptr, this);
-        return this;
-    }
-    /**
-     * Reads a frame at the given step.
-     * @param {number} step - Frame index (PDB only supports single frame, so only step=0 is valid)
-     * @returns {Frame | undefined}
-     * @param {number} step
-     * @returns {Frame | undefined}
-     */
-    read(step) {
-        const ret = wasm.pdbreader_read(this.__wbg_ptr, step);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return ret[0] === 0 ? undefined : Frame.__wrap(ret[0]);
-    }
-}
-if (Symbol.dispose) PdbReader.prototype[Symbol.dispose] = PdbReader.prototype.free;
-
-/**
- * XYZ/ExtXYZ file reader for WASM
- *
- * # Example (JavaScript)
- * ```js
- * const reader = new XyzReader(fileContent);
- * const frame = reader.read(0);
- * ```
- */
-export class XyzReader {
-    __destroy_into_raw() {
-        const ptr = this.__wbg_ptr;
-        this.__wbg_ptr = 0;
-        XyzReaderFinalization.unregister(this);
-        return ptr;
-    }
-    free() {
-        const ptr = this.__destroy_into_raw();
-        wasm.__wbg_xyzreader_free(ptr, 0);
-    }
-    /**
-     * Returns the number of frames in the file.
-     * @returns {number}
-     * @returns {number}
-     */
-    len() {
-        const ret = wasm.xyzreader_len(this.__wbg_ptr);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return ret[0] >>> 0;
-    }
-    /**
-     * @param {string} content
-     */
-    constructor(content) {
-        const ptr0 = passStringToWasm0(content, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.xyzreader_new(ptr0, len0);
-        this.__wbg_ptr = ret >>> 0;
-        XyzReaderFinalization.register(this, this.__wbg_ptr, this);
-        return this;
-    }
-    /**
-     * Reads a frame at the given step.
-     * @param {number} step - Frame index
-     * @returns {Frame | undefined}
-     * @param {number} step
-     * @returns {Frame | undefined}
-     */
-    read(step) {
-        const ret = wasm.xyzreader_read(this.__wbg_ptr, step);
-        if (ret[2]) {
-            throw takeFromExternrefTable0(ret[1]);
-        }
-        return ret[0] === 0 ? undefined : Frame.__wrap(ret[0]);
-    }
-}
-if (Symbol.dispose) XyzReader.prototype[Symbol.dispose] = XyzReader.prototype.free;
-
-/**
- * Writes a frame to a string in the specified format.
- *
- * # Example (JavaScript)
- * ```js
- * const output = writeFrame(frame, "xyz");
- * console.log(output); // XYZ format string
- * ```
- *
- * @param {Frame} frame - Frame to write
- * @param {string} format - Output format ("xyz" or "pdb")
- * @returns {string} Formatted output
- * @param {Frame} frame
- * @param {string} format
- * @returns {string}
- */
-export function writeFrame(frame, format) {
-    let deferred3_0;
-    let deferred3_1;
-    try {
-        _assertClass(frame, Frame);
-        const ptr0 = passStringToWasm0(format, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-        const len0 = WASM_VECTOR_LEN;
-        const ret = wasm.writeFrame(frame.__wbg_ptr, ptr0, len0);
-        var ptr2 = ret[0];
-        var len2 = ret[1];
-        if (ret[3]) {
-            ptr2 = 0; len2 = 0;
-            throw takeFromExternrefTable0(ret[2]);
-        }
-        deferred3_0 = ptr2;
-        deferred3_1 = len2;
-        return getStringFromWasm0(ptr2, len2);
-    } finally {
-        wasm.__wbindgen_free(deferred3_0, deferred3_1, 1);
-    }
-}
-
-function __wbg_get_imports() {
-    const import0 = {
-        __proto__: null,
-        __wbg___wbindgen_string_get_72fb696202c56729: function(arg0, arg1) {
-            const obj = arg1;
-            const ret = typeof(obj) === 'string' ? obj : undefined;
-            var ptr1 = isLikeNone(ret) ? 0 : passStringToWasm0(ret, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-            var len1 = WASM_VECTOR_LEN;
-            getDataViewMemory0().setInt32(arg0 + 4 * 1, len1, true);
-            getDataViewMemory0().setInt32(arg0 + 4 * 0, ptr1, true);
-        },
-        __wbg___wbindgen_throw_be289d5034ed271b: function(arg0, arg1) {
-            throw new Error(getStringFromWasm0(arg0, arg1));
-        },
-        __wbg_get_9b94d73e6221f75c: function(arg0, arg1) {
-            const ret = arg0[arg1 >>> 0];
-            return ret;
-        },
-        __wbg_length_1e8b0a6e52c08b9a: function(arg0) {
-            const ret = arg0.length;
-            return ret;
-        },
-        __wbg_length_32ed9a279acd054c: function(arg0) {
-            const ret = arg0.length;
-            return ret;
-        },
-        __wbg_length_35a7bace40f36eac: function(arg0) {
-            const ret = arg0.length;
-            return ret;
-        },
-        __wbg_length_9a7876c9728a0979: function(arg0) {
-            const ret = arg0.length;
-            return ret;
-        },
-        __wbg_length_e2449a254c768bd8: function(arg0) {
-            const ret = arg0.length;
-            return ret;
-        },
-        __wbg_new_361308b2356cecd0: function() {
-            const ret = new Object();
-            return ret;
-        },
-        __wbg_new_3eb36ae241fe6f44: function() {
-            const ret = new Array();
-            return ret;
-        },
-        __wbg_new_from_slice_132ef6dc5072cf68: function(arg0, arg1) {
-            const ret = new Float32Array(getArrayF32FromWasm0(arg0, arg1));
-            return ret;
-        },
-        __wbg_new_from_slice_19d21922ff3c0ae6: function(arg0, arg1) {
-            const ret = new Uint32Array(getArrayU32FromWasm0(arg0, arg1));
-            return ret;
-        },
-        __wbg_new_from_slice_9e2a2c824595cde0: function(arg0, arg1) {
-            const ret = new BigInt64Array(getArrayI64FromWasm0(arg0, arg1));
-            return ret;
-        },
-        __wbg_new_from_slice_a3d2629dc1826784: function(arg0, arg1) {
-            const ret = new Uint8Array(getArrayU8FromWasm0(arg0, arg1));
-            return ret;
-        },
-        __wbg_prototypesetcall_4846d4aa386c936f: function(arg0, arg1, arg2) {
-            Uint32Array.prototype.set.call(getArrayU32FromWasm0(arg0, arg1), arg2);
-        },
-        __wbg_prototypesetcall_a294d00fdc9be271: function(arg0, arg1, arg2) {
-            BigInt64Array.prototype.set.call(getArrayI64FromWasm0(arg0, arg1), arg2);
-        },
-        __wbg_prototypesetcall_bdcdcc5842e4d77d: function(arg0, arg1, arg2) {
-            Uint8Array.prototype.set.call(getArrayU8FromWasm0(arg0, arg1), arg2);
-        },
-        __wbg_prototypesetcall_c7e6a26aeade796d: function(arg0, arg1, arg2) {
-            Float32Array.prototype.set.call(getArrayF32FromWasm0(arg0, arg1), arg2);
-        },
-        __wbg_push_8ffdcb2063340ba5: function(arg0, arg1) {
-            const ret = arg0.push(arg1);
-            return ret;
-        },
-        __wbg_set_6cb8631f80447a67: function() { return handleError(function (arg0, arg1, arg2) {
-            const ret = Reflect.set(arg0, arg1, arg2);
-            return ret;
-        }, arguments); },
-        __wbindgen_cast_0000000000000001: function(arg0, arg1) {
-            // Cast intrinsic for `Ref(String) -> Externref`.
-            const ret = getStringFromWasm0(arg0, arg1);
-            return ret;
-        },
-        __wbindgen_init_externref_table: function() {
-            const table = wasm.__wbindgen_externrefs;
-            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);
-        },
-    };
-    return {
-        __proto__: null,
-        "./molrs_bg.js": import0,
-    };
-}
-
-const BlockFinalization = (typeof FinalizationRegistry === 'undefined')
-    ? { register: () => {}, unregister: () => {} }
-    : new FinalizationRegistry(ptr => wasm.__wbg_block_free(ptr >>> 0, 1));
-const BoxFinalization = (typeof FinalizationRegistry === 'undefined')
-    ? { register: () => {}, unregister: () => {} }
-    : new FinalizationRegistry(ptr => wasm.__wbg_box_free(ptr >>> 0, 1));
-const F32ViewFinalization = (typeof FinalizationRegistry === 'undefined')
-    ? { register: () => {}, unregister: () => {} }
-    : new FinalizationRegistry(ptr => wasm.__wbg_f32view_free(ptr >>> 0, 1));
-const FrameFinalization = (typeof FinalizationRegistry === 'undefined')
-    ? { register: () => {}, unregister: () => {} }
-    : new FinalizationRegistry(ptr => wasm.__wbg_frame_free(ptr >>> 0, 1));
-const LammpsReaderFinalization = (typeof FinalizationRegistry === 'undefined')
-    ? { register: () => {}, unregister: () => {} }
-    : new FinalizationRegistry(ptr => wasm.__wbg_lammpsreader_free(ptr >>> 0, 1));
-const PdbReaderFinalization = (typeof FinalizationRegistry === 'undefined')
-    ? { register: () => {}, unregister: () => {} }
-    : new FinalizationRegistry(ptr => wasm.__wbg_pdbreader_free(ptr >>> 0, 1));
-const XyzReaderFinalization = (typeof FinalizationRegistry === 'undefined')
-    ? { register: () => {}, unregister: () => {} }
-    : new FinalizationRegistry(ptr => wasm.__wbg_xyzreader_free(ptr >>> 0, 1));
-
-function addToExternrefTable0(obj) {
-    const idx = wasm.__externref_table_alloc();
-    wasm.__wbindgen_externrefs.set(idx, obj);
-    return idx;
-}
-
-function _assertClass(instance, klass) {
-    if (!(instance instanceof klass)) {
-        throw new Error(`expected instance of ${klass.name}`);
-    }
-}
-
-function getArrayF32FromWasm0(ptr, len) {
-    ptr = ptr >>> 0;
-    return getFloat32ArrayMemory0().subarray(ptr / 4, ptr / 4 + len);
-}
-
-function getArrayI64FromWasm0(ptr, len) {
-    ptr = ptr >>> 0;
-    return getBigInt64ArrayMemory0().subarray(ptr / 8, ptr / 8 + len);
-}
-
-function getArrayU32FromWasm0(ptr, len) {
-    ptr = ptr >>> 0;
-    return getUint32ArrayMemory0().subarray(ptr / 4, ptr / 4 + len);
-}
-
-function getArrayU8FromWasm0(ptr, len) {
-    ptr = ptr >>> 0;
-    return getUint8ArrayMemory0().subarray(ptr / 1, ptr / 1 + len);
-}
-
-let cachedBigInt64ArrayMemory0 = null;
-function getBigInt64ArrayMemory0() {
-    if (cachedBigInt64ArrayMemory0 === null || cachedBigInt64ArrayMemory0.byteLength === 0) {
-        cachedBigInt64ArrayMemory0 = new BigInt64Array(wasm.memory.buffer);
-    }
-    return cachedBigInt64ArrayMemory0;
-}
-
-let cachedDataViewMemory0 = null;
-function getDataViewMemory0() {
-    if (cachedDataViewMemory0 === null || cachedDataViewMemory0.buffer.detached === true || (cachedDataViewMemory0.buffer.detached === undefined && cachedDataViewMemory0.buffer !== wasm.memory.buffer)) {
-        cachedDataViewMemory0 = new DataView(wasm.memory.buffer);
-    }
-    return cachedDataViewMemory0;
-}
-
-let cachedFloat32ArrayMemory0 = null;
-function getFloat32ArrayMemory0() {
-    if (cachedFloat32ArrayMemory0 === null || cachedFloat32ArrayMemory0.byteLength === 0) {
-        cachedFloat32ArrayMemory0 = new Float32Array(wasm.memory.buffer);
-    }
-    return cachedFloat32ArrayMemory0;
-}
-
-function getStringFromWasm0(ptr, len) {
-    ptr = ptr >>> 0;
-    return decodeText(ptr, len);
-}
-
-let cachedUint32ArrayMemory0 = null;
-function getUint32ArrayMemory0() {
-    if (cachedUint32ArrayMemory0 === null || cachedUint32ArrayMemory0.byteLength === 0) {
-        cachedUint32ArrayMemory0 = new Uint32Array(wasm.memory.buffer);
-    }
-    return cachedUint32ArrayMemory0;
-}
-
-let cachedUint8ArrayMemory0 = null;
-function getUint8ArrayMemory0() {
-    if (cachedUint8ArrayMemory0 === null || cachedUint8ArrayMemory0.byteLength === 0) {
-        cachedUint8ArrayMemory0 = new Uint8Array(wasm.memory.buffer);
-    }
-    return cachedUint8ArrayMemory0;
-}
-
-function handleError(f, args) {
-    try {
-        return f.apply(this, args);
-    } catch (e) {
-        const idx = addToExternrefTable0(e);
-        wasm.__wbindgen_exn_store(idx);
-    }
-}
-
-function isLikeNone(x) {
-    return x === undefined || x === null;
-}
-
-function passArray32ToWasm0(arg, malloc) {
-    const ptr = malloc(arg.length * 4, 4) >>> 0;
-    getUint32ArrayMemory0().set(arg, ptr / 4);
-    WASM_VECTOR_LEN = arg.length;
-    return ptr;
-}
-
-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 = cachedTextEncoder.encodeInto(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_externrefs.get(idx);
-    wasm.__externref_table_dealloc(idx);
-    return value;
-}
-
-let cachedTextDecoder = new TextDecoder('utf-8', { ignoreBOM: true, fatal: true });
-cachedTextDecoder.decode();
-const MAX_SAFARI_DECODE_BYTES = 2146435072;
-let numBytesDecoded = 0;
-function decodeText(ptr, len) {
-    numBytesDecoded += len;
-    if (numBytesDecoded >= MAX_SAFARI_DECODE_BYTES) {
-        cachedTextDecoder = new TextDecoder('utf-8', { ignoreBOM: true, fatal: true });
-        cachedTextDecoder.decode();
-        numBytesDecoded = len;
-    }
-    return cachedTextDecoder.decode(getUint8ArrayMemory0().subarray(ptr, ptr + len));
-}
-
-const cachedTextEncoder = new TextEncoder();
-
-if (!('encodeInto' in cachedTextEncoder)) {
-    cachedTextEncoder.encodeInto = function (arg, view) {
-        const buf = cachedTextEncoder.encode(arg);
-        view.set(buf);
-        return {
-            read: arg.length,
-            written: buf.length
-        };
-    };
-}
-
-let WASM_VECTOR_LEN = 0;
-
-let wasmModule, wasm;
-function __wbg_finalize_init(instance, module) {
-    wasm = instance.exports;
-    wasmModule = module;
-    cachedBigInt64ArrayMemory0 = null;
-    cachedDataViewMemory0 = null;
-    cachedFloat32ArrayMemory0 = null;
-    cachedUint32ArrayMemory0 = null;
-    cachedUint8ArrayMemory0 = null;
-    wasm.__wbindgen_start();
-    return wasm;
-}
-
-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) {
-                const validResponse = module.ok && expectedResponseType(module.type);
-
-                if (validResponse && 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 expectedResponseType(type) {
-        switch (type) {
-            case 'basic': case 'cors': case 'default': return true;
-        }
-        return false;
-    }
-}
-
-function initSync(module) {
-    if (wasm !== undefined) return wasm;
-
-
-    if (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();
-    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 (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 (module_or_path === undefined) {
-        module_or_path = new URL('molrs_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);
-    }
-
-    const { instance, module } = await __wbg_load(await module_or_path, imports);
-
-    return __wbg_finalize_init(instance, module);
-}
-
-export { initSync, __wbg_init as default };
+import * as wasm from "./molrs_bg.wasm";
+import { __wbg_set_wasm } from "./molrs_bg.js";
+__wbg_set_wasm(wasm);
+wasm.__wbindgen_start();
+export {
+    Block, Box, Cluster, ClusterResult, Frame, LAMMPSReader, LinkedCell, MSD, MSDResult, NeighborList, PDBReader, RDF, RDFResult, SimulationReader, SmilesIR, WasmArray, XYZReader, generate3D, parseSMILES, start, wasmMemory, writeFrame
+} from "./molrs_bg.js";