bio-forge-wasm 0.3.0

package/bio_forge_wasm_bg.js

@@ -0,0 +1,1180 @@
+let wasm;
+export function __wbg_set_wasm(val) {
+    wasm = val;
+}
+
+function addHeapObject(obj) {
+    if (heap_next === heap.length) heap.push(heap.length + 1);
+    const idx = heap_next;
+    heap_next = heap[idx];
+
+    heap[idx] = obj;
+    return idx;
+}
+
+function _assertClass(instance, klass) {
+    if (!(instance instanceof klass)) {
+        throw new Error(`expected instance of ${klass.name}`);
+    }
+}
+
+function debugString(val) {
+    // primitive types
+    const type = typeof val;
+    if (type == 'number' || type == 'boolean' || val == null) {
+        return  `${val}`;
+    }
+    if (type == 'string') {
+        return `"${val}"`;
+    }
+    if (type == 'symbol') {
+        const description = val.description;
+        if (description == null) {
+            return 'Symbol';
+        } else {
+            return `Symbol(${description})`;
+        }
+    }
+    if (type == 'function') {
+        const name = val.name;
+        if (typeof name == 'string' && name.length > 0) {
+            return `Function(${name})`;
+        } else {
+            return 'Function';
+        }
+    }
+    // objects
+    if (Array.isArray(val)) {
+        const length = val.length;
+        let debug = '[';
+        if (length > 0) {
+            debug += debugString(val[0]);
+        }
+        for(let i = 1; i < length; i++) {
+            debug += ', ' + debugString(val[i]);
+        }
+        debug += ']';
+        return debug;
+    }
+    // Test for built-in
+    const builtInMatches = /\[object ([^\]]+)\]/.exec(toString.call(val));
+    let className;
+    if (builtInMatches && builtInMatches.length > 1) {
+        className = builtInMatches[1];
+    } else {
+        // Failed to match the standard '[object ClassName]'
+        return toString.call(val);
+    }
+    if (className == 'Object') {
+        // we're a user defined class or Object
+        // JSON.stringify avoids problems with cycles, and is generally much
+        // easier than looping through ownProperties of `val`.
+        try {
+            return 'Object(' + JSON.stringify(val) + ')';
+        } catch (_) {
+            return 'Object';
+        }
+    }
+    // errors
+    if (val instanceof Error) {
+        return `${val.name}: ${val.message}\n${val.stack}`;
+    }
+    // TODO we could test for more things here, like `Set`s and `Map`s.
+    return className;
+}
+
+function dropObject(idx) {
+    if (idx < 132) return;
+    heap[idx] = heap_next;
+    heap_next = idx;
+}
+
+function getArrayU8FromWasm0(ptr, len) {
+    ptr = ptr >>> 0;
+    return getUint8ArrayMemory0().subarray(ptr / 1, ptr / 1 + len);
+}
+
+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;
+}
+
+function getStringFromWasm0(ptr, len) {
+    ptr = ptr >>> 0;
+    return decodeText(ptr, len);
+}
+
+let cachedUint8ArrayMemory0 = null;
+function getUint8ArrayMemory0() {
+    if (cachedUint8ArrayMemory0 === null || cachedUint8ArrayMemory0.byteLength === 0) {
+        cachedUint8ArrayMemory0 = new Uint8Array(wasm.memory.buffer);
+    }
+    return cachedUint8ArrayMemory0;
+}
+
+function getObject(idx) { return heap[idx]; }
+
+function handleError(f, args) {
+    try {
+        return f.apply(this, args);
+    } catch (e) {
+        wasm.__wbindgen_export3(addHeapObject(e));
+    }
+}
+
+let heap = new Array(128).fill(undefined);
+heap.push(undefined, null, true, false);
+
+let heap_next = heap.length;
+
+function isLikeNone(x) {
+    return x === undefined || x === null;
+}
+
+function passArray8ToWasm0(arg, malloc) {
+    const ptr = malloc(arg.length * 1, 1) >>> 0;
+    getUint8ArrayMemory0().set(arg, ptr / 1);
+    WASM_VECTOR_LEN = arg.length;
+    return ptr;
+}
+
+function passArrayJsValueToWasm0(array, malloc) {
+    const ptr = malloc(array.length * 4, 4) >>> 0;
+    const mem = getDataViewMemory0();
+    for (let i = 0; i < array.length; i++) {
+        mem.setUint32(ptr + 4 * i, addHeapObject(array[i]), true);
+    }
+    WASM_VECTOR_LEN = array.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 takeObject(idx) {
+    const ret = getObject(idx);
+    dropObject(idx);
+    return ret;
+}
+
+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;
+
+const StructureFinalization = (typeof FinalizationRegistry === 'undefined')
+    ? { register: () => {}, unregister: () => {} }
+    : new FinalizationRegistry(ptr => wasm.__wbg_structure_free(ptr >>> 0, 1));
+
+const TemplateFinalization = (typeof FinalizationRegistry === 'undefined')
+    ? { register: () => {}, unregister: () => {} }
+    : new FinalizationRegistry(ptr => wasm.__wbg_template_free(ptr >>> 0, 1));
+
+const TopologyFinalization = (typeof FinalizationRegistry === 'undefined')
+    ? { register: () => {}, unregister: () => {} }
+    : new FinalizationRegistry(ptr => wasm.__wbg_topology_free(ptr >>> 0, 1));
+
+/**
+ * A molecular structure for manipulation and export.
+ */
+export class Structure {
+    static __wrap(ptr) {
+        ptr = ptr >>> 0;
+        const obj = Object.create(Structure.prototype);
+        obj.__wbg_ptr = ptr;
+        StructureFinalization.register(obj, obj.__wbg_ptr, obj);
+        return obj;
+    }
+    __destroy_into_raw() {
+        const ptr = this.__wbg_ptr;
+        this.__wbg_ptr = 0;
+        StructureFinalization.unregister(this);
+        return ptr;
+    }
+    free() {
+        const ptr = this.__destroy_into_raw();
+        wasm.__wbg_structure_free(ptr, 0);
+    }
+    /**
+     * Returns the number of atoms.
+     * @returns {number}
+     */
+    get atomCount() {
+        const ret = wasm.structure_atomCount(this.__wbg_ptr);
+        return ret >>> 0;
+    }
+    /**
+     * Parses an mmCIF string into a Structure.
+     * @param {string} content
+     * @returns {Structure}
+     */
+    static fromMmcif(content) {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            const ptr0 = passStringToWasm0(content, wasm.__wbindgen_export, wasm.__wbindgen_export2);
+            const len0 = WASM_VECTOR_LEN;
+            wasm.structure_fromMmcif(retptr, ptr0, len0);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            if (r2) {
+                throw takeObject(r1);
+            }
+            return Structure.__wrap(r0);
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Centers the center of mass at the origin.
+     */
+    centerMass() {
+        wasm.structure_centerMass(this.__wbg_ptr);
+    }
+    /**
+     * Returns the number of chains.
+     * @returns {number}
+     */
+    get chainCount() {
+        const ret = wasm.structure_chainCount(this.__wbg_ptr);
+        return ret >>> 0;
+    }
+    /**
+     * Builds a Topology from this structure.
+     * @param {TopologyConfig | null} [config]
+     * @param {Template[] | null} [templates]
+     * @returns {Topology}
+     */
+    toTopology(config, templates) {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            var ptr0 = isLikeNone(templates) ? 0 : passArrayJsValueToWasm0(templates, wasm.__wbindgen_export);
+            var len0 = WASM_VECTOR_LEN;
+            wasm.structure_toTopology(retptr, this.__wbg_ptr, isLikeNone(config) ? 0 : addHeapObject(config), ptr0, len0);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            if (r2) {
+                throw takeObject(r1);
+            }
+            return Topology.__wrap(r0);
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Rotates using Euler angles (XYZ convention, all in radians).
+     * @param {number} x
+     * @param {number} y
+     * @param {number} z
+     */
+    rotateEuler(x, y, z) {
+        wasm.structure_rotateEuler(this.__wbg_ptr, x, y, z);
+    }
+    /**
+     * Serializes to PDB format as bytes.
+     * @returns {Uint8Array}
+     */
+    toPdbBytes() {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            wasm.structure_toPdbBytes(retptr, this.__wbg_ptr);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            var r3 = getDataViewMemory0().getInt32(retptr + 4 * 3, true);
+            if (r3) {
+                throw takeObject(r2);
+            }
+            var v1 = getArrayU8FromWasm0(r0, r1).slice();
+            wasm.__wbindgen_export4(r0, r1 * 1, 1);
+            return v1;
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Adds hydrogen atoms.
+     * @param {HydroConfig | null} [config]
+     */
+    addHydrogens(config) {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            wasm.structure_addHydrogens(retptr, this.__wbg_ptr, isLikeNone(config) ? 0 : addHeapObject(config));
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            if (r1) {
+                throw takeObject(r0);
+            }
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Returns the number of residues.
+     * @returns {number}
+     */
+    get residueCount() {
+        const ret = wasm.structure_residueCount(this.__wbg_ptr);
+        return ret >>> 0;
+    }
+    /**
+     * Parses a PDB byte array into a Structure.
+     * @param {Uint8Array} content
+     * @returns {Structure}
+     */
+    static fromPdbBytes(content) {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            const ptr0 = passArray8ToWasm0(content, wasm.__wbindgen_export);
+            const len0 = WASM_VECTOR_LEN;
+            wasm.structure_fromPdbBytes(retptr, ptr0, len0);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            if (r2) {
+                throw takeObject(r1);
+            }
+            return Structure.__wrap(r0);
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Serializes to mmCIF format as bytes.
+     * @returns {Uint8Array}
+     */
+    toMmcifBytes() {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            wasm.structure_toMmcifBytes(retptr, this.__wbg_ptr);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            var r3 = getDataViewMemory0().getInt32(retptr + 4 * 3, true);
+            if (r3) {
+                throw takeObject(r2);
+            }
+            var v1 = getArrayU8FromWasm0(r0, r1).slice();
+            wasm.__wbindgen_export4(r0, r1 * 1, 1);
+            return v1;
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Centers the geometric centroid at the origin.
+     */
+    centerGeometry() {
+        wasm.structure_centerGeometry(this.__wbg_ptr);
+    }
+    /**
+     * Creates a deep copy of the structure.
+     * @returns {Structure}
+     */
+    clone() {
+        const ret = wasm.structure_clone(this.__wbg_ptr);
+        return Structure.__wrap(ret);
+    }
+    /**
+     * Parses an mmCIF byte array into a Structure.
+     * @param {Uint8Array} content
+     * @returns {Structure}
+     */
+    static fromMmcifBytes(content) {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            const ptr0 = passArray8ToWasm0(content, wasm.__wbindgen_export);
+            const len0 = WASM_VECTOR_LEN;
+            wasm.structure_fromMmcif(retptr, ptr0, len0);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            if (r2) {
+                throw takeObject(r1);
+            }
+            return Structure.__wrap(r0);
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Returns comprehensive structure statistics.
+     * @returns {StructureInfo}
+     */
+    info() {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            wasm.structure_info(retptr, this.__wbg_ptr);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            if (r2) {
+                throw takeObject(r1);
+            }
+            return takeObject(r0);
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Removes unwanted components (water, ions, hydrogens, hetero residues).
+     * @param {CleanConfig | null} [config]
+     */
+    clean(config) {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            wasm.structure_clean(retptr, this.__wbg_ptr, isLikeNone(config) ? 0 : addHeapObject(config));
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            if (r1) {
+                throw takeObject(r0);
+            }
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Reconstructs missing atoms from templates.
+     */
+    repair() {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            wasm.structure_repair(retptr, this.__wbg_ptr);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            if (r1) {
+                throw takeObject(r0);
+            }
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Serializes to PDB format.
+     * @returns {string}
+     */
+    toPdb() {
+        let deferred2_0;
+        let deferred2_1;
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            wasm.structure_toPdb(retptr, this.__wbg_ptr);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            var r3 = getDataViewMemory0().getInt32(retptr + 4 * 3, true);
+            var ptr1 = r0;
+            var len1 = r1;
+            if (r3) {
+                ptr1 = 0; len1 = 0;
+                throw takeObject(r2);
+            }
+            deferred2_0 = ptr1;
+            deferred2_1 = len1;
+            return getStringFromWasm0(ptr1, len1);
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+            wasm.__wbindgen_export4(deferred2_0, deferred2_1, 1);
+        }
+    }
+    /**
+     * Solvates the structure with water and ions.
+     * @param {SolvateConfig | null} [config]
+     */
+    solvate(config) {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            wasm.structure_solvate(retptr, this.__wbg_ptr, isLikeNone(config) ? 0 : addHeapObject(config));
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            if (r1) {
+                throw takeObject(r0);
+            }
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Parses a PDB string into a Structure.
+     * @param {string} content
+     * @returns {Structure}
+     */
+    static fromPdb(content) {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            const ptr0 = passStringToWasm0(content, wasm.__wbindgen_export, wasm.__wbindgen_export2);
+            const len0 = WASM_VECTOR_LEN;
+            wasm.structure_fromPdb(retptr, ptr0, len0);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            if (r2) {
+                throw takeObject(r1);
+            }
+            return Structure.__wrap(r0);
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Rotates around the X axis (angle in radians).
+     * @param {number} radians
+     */
+    rotateX(radians) {
+        wasm.structure_rotateX(this.__wbg_ptr, radians);
+    }
+    /**
+     * Rotates around the Y axis (angle in radians).
+     * @param {number} radians
+     */
+    rotateY(radians) {
+        wasm.structure_rotateY(this.__wbg_ptr, radians);
+    }
+    /**
+     * Rotates around the Z axis (angle in radians).
+     * @param {number} radians
+     */
+    rotateZ(radians) {
+        wasm.structure_rotateZ(this.__wbg_ptr, radians);
+    }
+    /**
+     * Serializes to mmCIF format.
+     * @returns {string}
+     */
+    toMmcif() {
+        let deferred2_0;
+        let deferred2_1;
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            wasm.structure_toMmcif(retptr, this.__wbg_ptr);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            var r3 = getDataViewMemory0().getInt32(retptr + 4 * 3, true);
+            var ptr1 = r0;
+            var len1 = r1;
+            if (r3) {
+                ptr1 = 0; len1 = 0;
+                throw takeObject(r2);
+            }
+            deferred2_0 = ptr1;
+            deferred2_1 = len1;
+            return getStringFromWasm0(ptr1, len1);
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+            wasm.__wbindgen_export4(deferred2_0, deferred2_1, 1);
+        }
+    }
+    /**
+     * Translates all atoms by the given vector (x, y, z in Å).
+     * @param {number} x
+     * @param {number} y
+     * @param {number} z
+     */
+    translate(x, y, z) {
+        wasm.structure_translate(this.__wbg_ptr, x, y, z);
+    }
+}
+if (Symbol.dispose) Structure.prototype[Symbol.dispose] = Structure.prototype.free;
+
+/**
+ * A residue or ligand template for topology building.
+ */
+export class Template {
+    static __wrap(ptr) {
+        ptr = ptr >>> 0;
+        const obj = Object.create(Template.prototype);
+        obj.__wbg_ptr = ptr;
+        TemplateFinalization.register(obj, obj.__wbg_ptr, obj);
+        return obj;
+    }
+    static __unwrap(jsValue) {
+        if (!(jsValue instanceof Template)) {
+            return 0;
+        }
+        return jsValue.__destroy_into_raw();
+    }
+    __destroy_into_raw() {
+        const ptr = this.__wbg_ptr;
+        this.__wbg_ptr = 0;
+        TemplateFinalization.unregister(this);
+        return ptr;
+    }
+    free() {
+        const ptr = this.__destroy_into_raw();
+        wasm.__wbg_template_free(ptr, 0);
+    }
+    /**
+     * Parses a MOL2 byte array into a Template.
+     * @param {Uint8Array} content
+     * @returns {Template}
+     */
+    static fromMol2Bytes(content) {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            const ptr0 = passArray8ToWasm0(content, wasm.__wbindgen_export);
+            const len0 = WASM_VECTOR_LEN;
+            wasm.template_fromMol2(retptr, ptr0, len0);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            if (r2) {
+                throw takeObject(r1);
+            }
+            return Template.__wrap(r0);
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Returns the template name (residue code).
+     * @returns {string}
+     */
+    get name() {
+        let deferred1_0;
+        let deferred1_1;
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            wasm.template_name(retptr, this.__wbg_ptr);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            deferred1_0 = r0;
+            deferred1_1 = r1;
+            return getStringFromWasm0(r0, r1);
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+            wasm.__wbindgen_export4(deferred1_0, deferred1_1, 1);
+        }
+    }
+    /**
+     * Parses a MOL2 string into a Template.
+     * @param {string} content
+     * @returns {Template}
+     */
+    static fromMol2(content) {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            const ptr0 = passStringToWasm0(content, wasm.__wbindgen_export, wasm.__wbindgen_export2);
+            const len0 = WASM_VECTOR_LEN;
+            wasm.template_fromMol2(retptr, ptr0, len0);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            if (r2) {
+                throw takeObject(r1);
+            }
+            return Template.__wrap(r0);
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+}
+if (Symbol.dispose) Template.prototype[Symbol.dispose] = Template.prototype.free;
+
+/**
+ * A structure with bond connectivity information.
+ */
+export class Topology {
+    static __wrap(ptr) {
+        ptr = ptr >>> 0;
+        const obj = Object.create(Topology.prototype);
+        obj.__wbg_ptr = ptr;
+        TopologyFinalization.register(obj, obj.__wbg_ptr, obj);
+        return obj;
+    }
+    __destroy_into_raw() {
+        const ptr = this.__wbg_ptr;
+        this.__wbg_ptr = 0;
+        TopologyFinalization.unregister(this);
+        return ptr;
+    }
+    free() {
+        const ptr = this.__destroy_into_raw();
+        wasm.__wbg_topology_free(ptr, 0);
+    }
+    /**
+     * Returns the number of bonds.
+     * @returns {number}
+     */
+    get bondCount() {
+        const ret = wasm.topology_bondCount(this.__wbg_ptr);
+        return ret >>> 0;
+    }
+    /**
+     * Serializes to PDB format as bytes.
+     * @returns {Uint8Array}
+     */
+    toPdbBytes() {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            wasm.topology_toPdbBytes(retptr, this.__wbg_ptr);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            var r3 = getDataViewMemory0().getInt32(retptr + 4 * 3, true);
+            if (r3) {
+                throw takeObject(r2);
+            }
+            var v1 = getArrayU8FromWasm0(r0, r1).slice();
+            wasm.__wbindgen_export4(r0, r1 * 1, 1);
+            return v1;
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Creates a Topology from a Structure.
+     * @param {Structure} structure
+     * @param {TopologyConfig | null} [config]
+     * @param {Template[] | null} [templates]
+     * @returns {Topology}
+     */
+    static fromStructure(structure, config, templates) {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            _assertClass(structure, Structure);
+            var ptr0 = isLikeNone(templates) ? 0 : passArrayJsValueToWasm0(templates, wasm.__wbindgen_export);
+            var len0 = WASM_VECTOR_LEN;
+            wasm.topology_fromStructure(retptr, structure.__wbg_ptr, isLikeNone(config) ? 0 : addHeapObject(config), ptr0, len0);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            if (r2) {
+                throw takeObject(r1);
+            }
+            return Topology.__wrap(r0);
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Serializes to mmCIF format as bytes.
+     * @returns {Uint8Array}
+     */
+    toMmcifBytes() {
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            wasm.topology_toMmcifBytes(retptr, this.__wbg_ptr);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            var r3 = getDataViewMemory0().getInt32(retptr + 4 * 3, true);
+            if (r3) {
+                throw takeObject(r2);
+            }
+            var v1 = getArrayU8FromWasm0(r0, r1).slice();
+            wasm.__wbindgen_export4(r0, r1 * 1, 1);
+            return v1;
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+        }
+    }
+    /**
+     * Serializes to PDB format with CONECT records.
+     * @returns {string}
+     */
+    toPdb() {
+        let deferred2_0;
+        let deferred2_1;
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            wasm.topology_toPdb(retptr, this.__wbg_ptr);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            var r3 = getDataViewMemory0().getInt32(retptr + 4 * 3, true);
+            var ptr1 = r0;
+            var len1 = r1;
+            if (r3) {
+                ptr1 = 0; len1 = 0;
+                throw takeObject(r2);
+            }
+            deferred2_0 = ptr1;
+            deferred2_1 = len1;
+            return getStringFromWasm0(ptr1, len1);
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+            wasm.__wbindgen_export4(deferred2_0, deferred2_1, 1);
+        }
+    }
+    /**
+     * Serializes to mmCIF format with struct_conn records.
+     * @returns {string}
+     */
+    toMmcif() {
+        let deferred2_0;
+        let deferred2_1;
+        try {
+            const retptr = wasm.__wbindgen_add_to_stack_pointer(-16);
+            wasm.topology_toMmcif(retptr, this.__wbg_ptr);
+            var r0 = getDataViewMemory0().getInt32(retptr + 4 * 0, true);
+            var r1 = getDataViewMemory0().getInt32(retptr + 4 * 1, true);
+            var r2 = getDataViewMemory0().getInt32(retptr + 4 * 2, true);
+            var r3 = getDataViewMemory0().getInt32(retptr + 4 * 3, true);
+            var ptr1 = r0;
+            var len1 = r1;
+            if (r3) {
+                ptr1 = 0; len1 = 0;
+                throw takeObject(r2);
+            }
+            deferred2_0 = ptr1;
+            deferred2_1 = len1;
+            return getStringFromWasm0(ptr1, len1);
+        } finally {
+            wasm.__wbindgen_add_to_stack_pointer(16);
+            wasm.__wbindgen_export4(deferred2_0, deferred2_1, 1);
+        }
+    }
+    /**
+     * Returns a copy of the underlying structure.
+     * @returns {Structure}
+     */
+    get structure() {
+        const ret = wasm.topology_structure(this.__wbg_ptr);
+        return Structure.__wrap(ret);
+    }
+}
+if (Symbol.dispose) Topology.prototype[Symbol.dispose] = Topology.prototype.free;
+
+/**
+ * Initializes panic hook for better error messages in browser console.
+ *
+ * This function is automatically called when the WASM module is loaded.
+ * It sets up `console_error_panic_hook` to provide readable panic messages
+ * in the browser's developer console instead of cryptic WASM error codes.
+ */
+export function init() {
+    wasm.init();
+}
+
+export function __wbg_Error_52673b7de5a0ca89(arg0, arg1) {
+    const ret = Error(getStringFromWasm0(arg0, arg1));
+    return addHeapObject(ret);
+};
+
+export function __wbg_Number_2d1dcfcf4ec51736(arg0) {
+    const ret = Number(getObject(arg0));
+    return ret;
+};
+
+export function __wbg_String_8f0eb39a4a4c2f66(arg0, arg1) {
+    const ret = String(getObject(arg1));
+    const ptr1 = passStringToWasm0(ret, wasm.__wbindgen_export, wasm.__wbindgen_export2);
+    const len1 = WASM_VECTOR_LEN;
+    getDataViewMemory0().setInt32(arg0 + 4 * 1, len1, true);
+    getDataViewMemory0().setInt32(arg0 + 4 * 0, ptr1, true);
+};
+
+export function __wbg___wbindgen_bigint_get_as_i64_6e32f5e6aff02e1d(arg0, arg1) {
+    const v = getObject(arg1);
+    const ret = typeof(v) === 'bigint' ? v : undefined;
+    getDataViewMemory0().setBigInt64(arg0 + 8 * 1, isLikeNone(ret) ? BigInt(0) : ret, true);
+    getDataViewMemory0().setInt32(arg0 + 4 * 0, !isLikeNone(ret), true);
+};
+
+export function __wbg___wbindgen_boolean_get_dea25b33882b895b(arg0) {
+    const v = getObject(arg0);
+    const ret = typeof(v) === 'boolean' ? v : undefined;
+    return isLikeNone(ret) ? 0xFFFFFF : ret ? 1 : 0;
+};
+
+export function __wbg___wbindgen_debug_string_adfb662ae34724b6(arg0, arg1) {
+    const ret = debugString(getObject(arg1));
+    const ptr1 = passStringToWasm0(ret, wasm.__wbindgen_export, wasm.__wbindgen_export2);
+    const len1 = WASM_VECTOR_LEN;
+    getDataViewMemory0().setInt32(arg0 + 4 * 1, len1, true);
+    getDataViewMemory0().setInt32(arg0 + 4 * 0, ptr1, true);
+};
+
+export function __wbg___wbindgen_in_0d3e1e8f0c669317(arg0, arg1) {
+    const ret = getObject(arg0) in getObject(arg1);
+    return ret;
+};
+
+export function __wbg___wbindgen_is_bigint_0e1a2e3f55cfae27(arg0) {
+    const ret = typeof(getObject(arg0)) === 'bigint';
+    return ret;
+};
+
+export function __wbg___wbindgen_is_function_8d400b8b1af978cd(arg0) {
+    const ret = typeof(getObject(arg0)) === 'function';
+    return ret;
+};
+
+export function __wbg___wbindgen_is_object_ce774f3490692386(arg0) {
+    const val = getObject(arg0);
+    const ret = typeof(val) === 'object' && val !== null;
+    return ret;
+};
+
+export function __wbg___wbindgen_is_undefined_f6b95eab589e0269(arg0) {
+    const ret = getObject(arg0) === undefined;
+    return ret;
+};
+
+export function __wbg___wbindgen_jsval_eq_b6101cc9cef1fe36(arg0, arg1) {
+    const ret = getObject(arg0) === getObject(arg1);
+    return ret;
+};
+
+export function __wbg___wbindgen_jsval_loose_eq_766057600fdd1b0d(arg0, arg1) {
+    const ret = getObject(arg0) == getObject(arg1);
+    return ret;
+};
+
+export function __wbg___wbindgen_number_get_9619185a74197f95(arg0, arg1) {
+    const obj = getObject(arg1);
+    const ret = typeof(obj) === 'number' ? obj : undefined;
+    getDataViewMemory0().setFloat64(arg0 + 8 * 1, isLikeNone(ret) ? 0 : ret, true);
+    getDataViewMemory0().setInt32(arg0 + 4 * 0, !isLikeNone(ret), true);
+};
+
+export function __wbg___wbindgen_string_get_a2a31e16edf96e42(arg0, arg1) {
+    const obj = getObject(arg1);
+    const ret = typeof(obj) === 'string' ? obj : undefined;
+    var ptr1 = isLikeNone(ret) ? 0 : passStringToWasm0(ret, wasm.__wbindgen_export, wasm.__wbindgen_export2);
+    var len1 = WASM_VECTOR_LEN;
+    getDataViewMemory0().setInt32(arg0 + 4 * 1, len1, true);
+    getDataViewMemory0().setInt32(arg0 + 4 * 0, ptr1, true);
+};
+
+export function __wbg___wbindgen_throw_dd24417ed36fc46e(arg0, arg1) {
+    throw new Error(getStringFromWasm0(arg0, arg1));
+};
+
+export function __wbg_call_abb4ff46ce38be40() { return handleError(function (arg0, arg1) {
+    const ret = getObject(arg0).call(getObject(arg1));
+    return addHeapObject(ret);
+}, arguments) };
+
+export function __wbg_done_62ea16af4ce34b24(arg0) {
+    const ret = getObject(arg0).done;
+    return ret;
+};
+
+export function __wbg_error_7534b8e9a36f1ab4(arg0, arg1) {
+    let deferred0_0;
+    let deferred0_1;
+    try {
+        deferred0_0 = arg0;
+        deferred0_1 = arg1;
+        console.error(getStringFromWasm0(arg0, arg1));
+    } finally {
+        wasm.__wbindgen_export4(deferred0_0, deferred0_1, 1);
+    }
+};
+
+export function __wbg_getRandomValues_1c61fac11405ffdc() { return handleError(function (arg0, arg1) {
+    globalThis.crypto.getRandomValues(getArrayU8FromWasm0(arg0, arg1));
+}, arguments) };
+
+export function __wbg_get_6b7bd52aca3f9671(arg0, arg1) {
+    const ret = getObject(arg0)[arg1 >>> 0];
+    return addHeapObject(ret);
+};
+
+export function __wbg_get_af9dab7e9603ea93() { return handleError(function (arg0, arg1) {
+    const ret = Reflect.get(getObject(arg0), getObject(arg1));
+    return addHeapObject(ret);
+}, arguments) };
+
+export function __wbg_get_with_ref_key_1dc361bd10053bfe(arg0, arg1) {
+    const ret = getObject(arg0)[getObject(arg1)];
+    return addHeapObject(ret);
+};
+
+export function __wbg_instanceof_ArrayBuffer_f3320d2419cd0355(arg0) {
+    let result;
+    try {
+        result = getObject(arg0) instanceof ArrayBuffer;
+    } catch (_) {
+        result = false;
+    }
+    const ret = result;
+    return ret;
+};
+
+export function __wbg_instanceof_Uint8Array_da54ccc9d3e09434(arg0) {
+    let result;
+    try {
+        result = getObject(arg0) instanceof Uint8Array;
+    } catch (_) {
+        result = false;
+    }
+    const ret = result;
+    return ret;
+};
+
+export function __wbg_isArray_51fd9e6422c0a395(arg0) {
+    const ret = Array.isArray(getObject(arg0));
+    return ret;
+};
+
+export function __wbg_isSafeInteger_ae7d3f054d55fa16(arg0) {
+    const ret = Number.isSafeInteger(getObject(arg0));
+    return ret;
+};
+
+export function __wbg_iterator_27b7c8b35ab3e86b() {
+    const ret = Symbol.iterator;
+    return addHeapObject(ret);
+};
+
+export function __wbg_length_22ac23eaec9d8053(arg0) {
+    const ret = getObject(arg0).length;
+    return ret;
+};
+
+export function __wbg_length_d45040a40c570362(arg0) {
+    const ret = getObject(arg0).length;
+    return ret;
+};
+
+export function __wbg_new_1ba21ce319a06297() {
+    const ret = new Object();
+    return addHeapObject(ret);
+};
+
+export function __wbg_new_25f239778d6112b9() {
+    const ret = new Array();
+    return addHeapObject(ret);
+};
+
+export function __wbg_new_6421f6084cc5bc5a(arg0) {
+    const ret = new Uint8Array(getObject(arg0));
+    return addHeapObject(ret);
+};
+
+export function __wbg_new_8a6f238a6ece86ea() {
+    const ret = new Error();
+    return addHeapObject(ret);
+};
+
+export function __wbg_next_138a17bbf04e926c(arg0) {
+    const ret = getObject(arg0).next;
+    return addHeapObject(ret);
+};
+
+export function __wbg_next_3cfe5c0fe2a4cc53() { return handleError(function (arg0) {
+    const ret = getObject(arg0).next();
+    return addHeapObject(ret);
+}, arguments) };
+
+export function __wbg_prototypesetcall_dfe9b766cdc1f1fd(arg0, arg1, arg2) {
+    Uint8Array.prototype.set.call(getArrayU8FromWasm0(arg0, arg1), getObject(arg2));
+};
+
+export function __wbg_set_3f1d0b984ed272ed(arg0, arg1, arg2) {
+    getObject(arg0)[takeObject(arg1)] = takeObject(arg2);
+};
+
+export function __wbg_set_7df433eea03a5c14(arg0, arg1, arg2) {
+    getObject(arg0)[arg1 >>> 0] = takeObject(arg2);
+};
+
+export function __wbg_stack_0ed75d68575b0f3c(arg0, arg1) {
+    const ret = getObject(arg1).stack;
+    const ptr1 = passStringToWasm0(ret, wasm.__wbindgen_export, wasm.__wbindgen_export2);
+    const len1 = WASM_VECTOR_LEN;
+    getDataViewMemory0().setInt32(arg0 + 4 * 1, len1, true);
+    getDataViewMemory0().setInt32(arg0 + 4 * 0, ptr1, true);
+};
+
+export function __wbg_template_unwrap(arg0) {
+    const ret = Template.__unwrap(getObject(arg0));
+    return ret;
+};
+
+export function __wbg_value_57b7b035e117f7ee(arg0) {
+    const ret = getObject(arg0).value;
+    return addHeapObject(ret);
+};
+
+export function __wbindgen_cast_2241b6af4c4b2941(arg0, arg1) {
+    // Cast intrinsic for `Ref(String) -> Externref`.
+    const ret = getStringFromWasm0(arg0, arg1);
+    return addHeapObject(ret);
+};
+
+export function __wbindgen_cast_4625c577ab2ec9ee(arg0) {
+    // Cast intrinsic for `U64 -> Externref`.
+    const ret = BigInt.asUintN(64, arg0);
+    return addHeapObject(ret);
+};
+
+export function __wbindgen_cast_d6cd19b81560fd6e(arg0) {
+    // Cast intrinsic for `F64 -> Externref`.
+    const ret = arg0;
+    return addHeapObject(ret);
+};
+
+export function __wbindgen_object_clone_ref(arg0) {
+    const ret = getObject(arg0);
+    return addHeapObject(ret);
+};
+
+export function __wbindgen_object_drop_ref(arg0) {
+    takeObject(arg0);
+};