xtalforge-wasm 1.1.0 → 1.2.0

package/xtalforge_wasm_bg.js

@@ -286,6 +286,48 @@ export class WasmDocument {
 }
 if (Symbol.dispose) WasmDocument.prototype[Symbol.dispose] = WasmDocument.prototype.free;
 
+/**
+ * Adsorption sites as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or tolerance.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {number} tolerance
+ * @returns {string}
+ */
+export function adsorption_sites(text, format_hint, tolerance) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        const val3 = +tolerance;
+        let ptr0, len0, ptr1, len1;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.adsorption_sites(ptr0, len0, ptr1, len1, val3);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
+}
+
 /**
  * Runtime capability report as JSON.
  * @returns {string}
@@ -429,6 +471,48 @@ export function asymmetrize_text(text, symprec) {
     }
 }
 
+/**
+ * Bond-valence sums as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or cutoff.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {number} cutoff
+ * @returns {string}
+ */
+export function bond_valence_sums(text, format_hint, cutoff) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        const val3 = +cutoff;
+        let ptr0, len0, ptr1, len1;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.bond_valence_sums(ptr0, len0, ptr1, len1, val3);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
+}
+
 /**
  * Perceives the bonds of a structure.
  *
@@ -1094,6 +1178,130 @@ export function convert_structure(text, format_hint, format) {
     }
 }
 
+/**
+ * Convex hull as JSON from a JSON list of phases.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for an invalid phase list.
+ * @param {string} entries_json
+ * @returns {string}
+ */
+export function convex_hull(entries_json) {
+    let deferred3_0;
+    let deferred3_1;
+    try {
+        const ptr0 = passStringToWasm0(entries_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+        const len0 = WASM_VECTOR_LEN;
+        const ret = wasm.convex_hull(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);
+    }
+}
+
+/**
+ * Coordination shell and shape measures as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or an out-of-range index.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {number} index
+ * @param {string} strategy
+ * @param {number} cutoff
+ * @param {number} solid_angle
+ * @returns {string}
+ */
+export function coordination(text, format_hint, index, strategy, cutoff, solid_angle) {
+    let deferred8_0;
+    let deferred8_1;
+    try {
+        const val4 = +index;
+        const val5 = +cutoff;
+        const val6 = +solid_angle;
+        let ptr0, len0, ptr1, len1, ptr2, len2;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(strategy, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.coordination(ptr0, len0, ptr1, len1, val4, ptr2, len2, val5, val6);
+        var ptr7 = ret[0];
+        var len7 = ret[1];
+        if (ret[3]) {
+            ptr7 = 0; len7 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred8_0 = ptr7;
+        deferred8_1 = len7;
+        return getStringFromWasm0(ptr7, len7);
+    } finally {
+        wasm.__wbindgen_free(deferred8_0, deferred8_1, 1);
+    }
+}
+
+/**
+ * Applies a strain, gradient, volume or density and returns structure JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or deformation options.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {string} options_json
+ * @returns {string}
+ */
+export function deform(text, format_hint, options_json) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        let ptr0, len0, ptr1, len1, ptr2, len2;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.deform(ptr0, len0, ptr1, len1, ptr2, len2);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
+}
+
 /**
  * Detects the space group and returns the dataset as a JS object.
  *
@@ -1173,6 +1381,92 @@ export function distance(text, i, j) {
     return ret[0];
 }
 
+/**
+ * Site edits; returns structure JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or edit options.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {string} options_json
+ * @returns {string}
+ */
+export function edit_structure(text, format_hint, options_json) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        let ptr0, len0, ptr1, len1, ptr2, len2;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.edit_structure(ptr0, len0, ptr1, len1, ptr2, len2);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
+}
+
+/**
+ * Elastic tensor from UFF stress finite differences as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or strain.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {number} strain
+ * @returns {string}
+ */
+export function elastic_tensor(text, format_hint, strain) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        const val3 = +strain;
+        let ptr0, len0, ptr1, len1;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.elastic_tensor(ptr0, len0, ptr1, len1, val3);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
+}
+
 /**
  * Reference data for an element by symbol or atomic number.
  *
@@ -1194,14 +1488,44 @@ export function element_info(input) {
 }
 
 /**
- * Returns QEq, EQeq or EEQ2019 charges (`qeq`, `eqeq`, `eeq`).
+ * Equation-of-state fit as JSON.
  *
  * # Errors
  *
- * Returns a JavaScript `Error` for invalid text or an unknown method.
- * @param {string} text
- * @param {string} method
- * @param {number} total_charge
+ * Returns a JavaScript `Error` for an unknown model or too few points.
+ * @param {string} options_json
+ * @returns {string}
+ */
+export function eos_fit(options_json) {
+    let deferred3_0;
+    let deferred3_1;
+    try {
+        const ptr0 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+        const len0 = WASM_VECTOR_LEN;
+        const ret = wasm.eos_fit(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);
+    }
+}
+
+/**
+ * Returns QEq, EQeq or EEQ2019 charges (`qeq`, `eqeq`, `eeq`).
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or an unknown method.
+ * @param {string} text
+ * @param {string} method
+ * @param {number} total_charge
  * @returns {any}
  */
 export function ff_charges_info(text, method, total_charge) {
@@ -1441,6 +1765,87 @@ export function ff_vibrations_info(text, step) {
     return takeFromExternrefTable0(ret[0]);
 }
 
+/**
+ * Similarity of two fingerprints.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text.
+ * @param {string} first
+ * @param {string} second
+ * @param {string} format_hint
+ * @param {number} r_max
+ * @param {number} bin_width
+ * @returns {number}
+ */
+export function fingerprint_similarity(first, second, format_hint, r_max, bin_width) {
+    const val4 = +r_max;
+    const val5 = +bin_width;
+    let ptr0, len0, ptr1, len1, ptr2, len2;
+    try {
+        ptr0 = passStringToWasm0(first, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+        len0 = WASM_VECTOR_LEN;
+        ptr1 = passStringToWasm0(second, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+        len1 = WASM_VECTOR_LEN;
+        ptr2 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+        len2 = WASM_VECTOR_LEN;
+    } catch (e) {
+        if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+        if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+        if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+        throw e;
+    }
+    const ret = wasm.fingerprint_similarity(ptr0, len0, ptr1, len1, ptr2, len2, val4, val5);
+    if (ret[2]) {
+        throw takeFromExternrefTable0(ret[1]);
+    }
+    return ret[0];
+}
+
+/**
+ * Equality classes of a list of structure texts.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text.
+ * @param {string[]} structures
+ * @param {string} format_hint
+ * @param {string} options_json
+ * @returns {string}
+ */
+export function group_structures(structures, format_hint, options_json) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        let ptr0, len0, ptr1, len1, ptr2, len2;
+        try {
+            ptr0 = passArrayJsValueToWasm0(structures, wasm.__wbindgen_malloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__externref_drop_slice(ptr0, len0); wasm.__wbindgen_free(ptr0, len0 * 4, 4); }
+            throw e;
+        }
+        const ret = wasm.group_structures(ptr0, len0, ptr1, len1, ptr2, len2);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
+}
+
 /**
  * Finds the functional groups of a structure.
  *
@@ -1516,6 +1921,145 @@ export function hydrogens_text(text, distance) {
     }
 }
 
+/**
+ * Linear interpolation between matched structures; returns a JSON array of
+ * structure documents.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` when the structures do not match.
+ * @param {string} first
+ * @param {string} second
+ * @param {number} images
+ * @param {string} format_hint
+ * @param {string} options_json
+ * @returns {string}
+ */
+export function interpolate(first, second, images, format_hint, options_json) {
+    let deferred7_0;
+    let deferred7_1;
+    try {
+        const val5 = +images;
+        let ptr0, len0, ptr1, len1, ptr2, len2, ptr3, len3;
+        try {
+            ptr0 = passStringToWasm0(first, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(second, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+            ptr3 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len3 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr3) { wasm.__wbindgen_free(ptr3, len3 * 1, 1); }
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.interpolate(ptr0, len0, ptr1, len1, val5, ptr2, len2, ptr3, len3);
+        var ptr6 = ret[0];
+        var len6 = ret[1];
+        if (ret[3]) {
+            ptr6 = 0; len6 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred7_0 = ptr6;
+        deferred7_1 = len6;
+        return getStringFromWasm0(ptr6, len6);
+    } finally {
+        wasm.__wbindgen_free(deferred7_0, deferred7_1, 1);
+    }
+}
+
+/**
+ * Interstitial candidates as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or options.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {string} species
+ * @param {string} options_json
+ * @returns {string}
+ */
+export function interstitials(text, format_hint, species, options_json) {
+    let deferred6_0;
+    let deferred6_1;
+    try {
+        let ptr0, len0, ptr1, len1, ptr2, len2, ptr3, len3;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(species, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+            ptr3 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len3 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr3) { wasm.__wbindgen_free(ptr3, len3 * 1, 1); }
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.interstitials(ptr0, len0, ptr1, len1, ptr2, len2, ptr3, len3);
+        var ptr5 = ret[0];
+        var len5 = ret[1];
+        if (ret[3]) {
+            ptr5 = 0; len5 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred6_0 = ptr5;
+        deferred6_1 = len5;
+        return getStringFromWasm0(ptr5, len5);
+    } finally {
+        wasm.__wbindgen_free(deferred6_0, deferred6_1, 1);
+    }
+}
+
+/**
+ * Kabsch alignment; points are a flat `xyzxyz...` array.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for mismatched or non-finite point sets.
+ * @param {Float64Array | number[]} points
+ * @param {Float64Array | number[]} reference
+ * @returns {string}
+ */
+export function kabsch_alignment(points, reference) {
+    let deferred4_0;
+    let deferred4_1;
+    try {
+        let ptr0, len0, ptr1, len1;
+        try {
+            ptr0 = passArrayF64ToWasm0(points, wasm.__wbindgen_malloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passArrayF64ToWasm0(reference, wasm.__wbindgen_malloc);
+            len1 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 8, 8); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 8, 8); }
+            throw e;
+        }
+        const ret = wasm.kabsch_alignment(ptr0, len0, ptr1, len1);
+        var ptr3 = ret[0];
+        var len3 = ret[1];
+        if (ret[3]) {
+            ptr3 = 0; len3 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred4_0 = ptr3;
+        deferred4_1 = len3;
+        return getStringFromWasm0(ptr3, len3);
+    } finally {
+        wasm.__wbindgen_free(deferred4_0, deferred4_1, 1);
+    }
+}
+
 /**
  * Returns the Bravais type and band path of a structure.
  *
@@ -1558,6 +2102,54 @@ export function lattice_info(a, b, c, alpha, beta, gamma) {
     return takeFromExternrefTable0(ret[0]);
 }
 
+/**
+ * Commensurate 2D lattice matches as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or options.
+ * @param {string} film
+ * @param {string} substrate
+ * @param {string} format_hint
+ * @param {string} options_json
+ * @returns {string}
+ */
+export function lattice_matches(film, substrate, format_hint, options_json) {
+    let deferred6_0;
+    let deferred6_1;
+    try {
+        let ptr0, len0, ptr1, len1, ptr2, len2, ptr3, len3;
+        try {
+            ptr0 = passStringToWasm0(film, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(substrate, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+            ptr3 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len3 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr3) { wasm.__wbindgen_free(ptr3, len3 * 1, 1); }
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.lattice_matches(ptr0, len0, ptr1, len1, ptr2, len2, ptr3, len3);
+        var ptr5 = ret[0];
+        var len5 = ret[1];
+        if (ret[3]) {
+            ptr5 = 0; len5 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred6_0 = ptr5;
+        deferred6_1 = len5;
+        return getStringFromWasm0(ptr5, len5);
+    } finally {
+        wasm.__wbindgen_free(deferred6_0, deferred6_1, 1);
+    }
+}
+
 /**
  * Minimum-image fractional vector and distance.
  *
@@ -1750,6 +2342,54 @@ export function magnetic_group_info(text, symprec) {
     return takeFromExternrefTable0(ret[0]);
 }
 
+/**
+ * Matches two structures and returns the match record as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or tolerances.
+ * @param {string} first
+ * @param {string} second
+ * @param {string} format_hint
+ * @param {string} options_json
+ * @returns {string}
+ */
+export function match_structures(first, second, format_hint, options_json) {
+    let deferred6_0;
+    let deferred6_1;
+    try {
+        let ptr0, len0, ptr1, len1, ptr2, len2, ptr3, len3;
+        try {
+            ptr0 = passStringToWasm0(first, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(second, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+            ptr3 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len3 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr3) { wasm.__wbindgen_free(ptr3, len3 * 1, 1); }
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.match_structures(ptr0, len0, ptr1, len1, ptr2, len2, ptr3, len3);
+        var ptr5 = ret[0];
+        var len5 = ret[1];
+        if (ret[3]) {
+            ptr5 = 0; len5 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred6_0 = ptr5;
+        deferred6_1 = len5;
+        return getStringFromWasm0(ptr5, len5);
+    } finally {
+        wasm.__wbindgen_free(deferred6_0, deferred6_1, 1);
+    }
+}
+
 /**
  * Builds an ASCII STL string.
  *
@@ -1821,27 +2461,195 @@ export function mof_topologies_info() {
     if (ret[2]) {
         throw takeFromExternrefTable0(ret[1]);
     }
-    return takeFromExternrefTable0(ret[0]);
+    return takeFromExternrefTable0(ret[0]);
+}
+
+/**
+ * Finds the periodic neighbors within `cutoff` Angstrom.
+ *
+ * Each element has `i`, `j`, `image` (the lattice translation of `j`) and
+ * `distance`.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or a non-positive cutoff.
+ * @param {string} text
+ * @param {number} cutoff
+ * @returns {Array<any>}
+ */
+export function neighbors(text, cutoff) {
+    const val2 = +cutoff;
+    const ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+    const len0 = WASM_VECTOR_LEN;
+    const ret = wasm.neighbors(ptr0, len0, val2);
+    if (ret[2]) {
+        throw takeFromExternrefTable0(ret[1]);
+    }
+    return takeFromExternrefTable0(ret[0]);
+}
+
+/**
+ * Returns the invariants of every CGD entry.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for an invalid net.
+ * @param {string} text
+ * @param {number} tolerance
+ * @returns {Array<any>}
+ */
+export function net_invariants_info(text, tolerance) {
+    const val2 = +tolerance;
+    const ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+    const len0 = WASM_VECTOR_LEN;
+    const ret = wasm.net_invariants_info(ptr0, len0, val2);
+    if (ret[2]) {
+        throw takeFromExternrefTable0(ret[1]);
+    }
+    return takeFromExternrefTable0(ret[0]);
+}
+
+/**
+ * Supercell closest to a cube; returns structure JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for an invalid cell count.
+ * @param {string} text
+ * @param {number} cells
+ * @param {string} format_hint
+ * @returns {string}
+ */
+export function optimal_supercell(text, cells, format_hint) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        const val3 = +cells;
+        let ptr0, len0, ptr1, len1;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.optimal_supercell(ptr0, len0, val3, ptr1, len1);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
+}
+
+/**
+ * Orderings of partial occupancies as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for a structure without partial occupancy.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {string} options_json
+ * @returns {string}
+ */
+export function orderings(text, format_hint, options_json) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        let ptr0, len0, ptr1, len1, ptr2, len2;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.orderings(ptr0, len0, ptr1, len1, ptr2, len2);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
+}
+
+/**
+ * Oxidation states as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or cutoff.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {number} cutoff
+ * @returns {string}
+ */
+export function oxidation_states(text, format_hint, cutoff) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        const val3 = +cutoff;
+        let ptr0, len0, ptr1, len1;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.oxidation_states(ptr0, len0, ptr1, len1, val3);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
 }
 
 /**
- * Finds the periodic neighbors within `cutoff` Angstrom.
- *
- * Each element has `i`, `j`, `image` (the lattice translation of `j`) and
- * `distance`.
+ * Returns the JSON schema of a built-in parameter preset.
  *
  * # Errors
  *
- * Returns a JavaScript `Error` for invalid text or a non-positive cutoff.
- * @param {string} text
- * @param {number} cutoff
- * @returns {Array<any>}
+ * Returns a JavaScript `Error` for an unknown preset.
+ * @param {string} name
+ * @returns {any}
  */
-export function neighbors(text, cutoff) {
-    const val2 = +cutoff;
-    const ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+export function param_schema(name) {
+    const ptr0 = passStringToWasm0(name, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
     const len0 = WASM_VECTOR_LEN;
-    const ret = wasm.neighbors(ptr0, len0, val2);
+    const ret = wasm.param_schema(ptr0, len0);
     if (ret[2]) {
         throw takeFromExternrefTable0(ret[1]);
     }
@@ -1849,43 +2657,88 @@ export function neighbors(text, cutoff) {
 }
 
 /**
- * Returns the invariants of every CGD entry.
+ * Periodic RMSD for an explicit atom mapping.
  *
  * # Errors
  *
- * Returns a JavaScript `Error` for an invalid net.
- * @param {string} text
- * @param {number} tolerance
- * @returns {Array<any>}
+ * Returns a JavaScript `Error` for invalid text or an incomplete mapping.
+ * @param {string} first
+ * @param {string} second
+ * @param {Uint32Array | number[]} mapping
+ * @param {string} format_hint
+ * @returns {number}
  */
-export function net_invariants_info(text, tolerance) {
-    const val2 = +tolerance;
-    const ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-    const len0 = WASM_VECTOR_LEN;
-    const ret = wasm.net_invariants_info(ptr0, len0, val2);
+export function periodic_rmsd(first, second, mapping, format_hint) {
+    let ptr0, len0, ptr1, len1, ptr2, len2, ptr3, len3;
+    try {
+        ptr0 = passStringToWasm0(first, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+        len0 = WASM_VECTOR_LEN;
+        ptr1 = passStringToWasm0(second, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+        len1 = WASM_VECTOR_LEN;
+        ptr2 = passArray32ToWasm0(mapping, wasm.__wbindgen_malloc);
+        len2 = WASM_VECTOR_LEN;
+        ptr3 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+        len3 = WASM_VECTOR_LEN;
+    } catch (e) {
+        if (ptr3) { wasm.__wbindgen_free(ptr3, len3 * 1, 1); }
+        if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 4, 4); }
+        if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+        if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+        throw e;
+    }
+    const ret = wasm.periodic_rmsd(ptr0, len0, ptr1, len1, ptr2, len2, ptr3, len3);
     if (ret[2]) {
         throw takeFromExternrefTable0(ret[1]);
     }
-    return takeFromExternrefTable0(ret[0]);
+    return ret[0];
 }
 
 /**
- * Returns the JSON schema of a built-in parameter preset.
+ * Places a molecule on an adsorption site and returns structure JSON.
  *
  * # Errors
  *
- * Returns a JavaScript `Error` for an unknown preset.
- * @param {string} name
- * @returns {any}
+ * Returns a JavaScript `Error` for invalid text or an out-of-range site.
+ * @param {string} slab
+ * @param {string} molecule
+ * @param {string} format_hint
+ * @param {string} options_json
+ * @returns {string}
  */
-export function param_schema(name) {
-    const ptr0 = passStringToWasm0(name, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
-    const len0 = WASM_VECTOR_LEN;
-    const ret = wasm.param_schema(ptr0, len0);
-    if (ret[2]) {
-        throw takeFromExternrefTable0(ret[1]);
+export function place_molecule(slab, molecule, format_hint, options_json) {
+    let deferred6_0;
+    let deferred6_1;
+    try {
+        let ptr0, len0, ptr1, len1, ptr2, len2, ptr3, len3;
+        try {
+            ptr0 = passStringToWasm0(slab, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(molecule, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+            ptr3 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len3 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr3) { wasm.__wbindgen_free(ptr3, len3 * 1, 1); }
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.place_molecule(ptr0, len0, ptr1, len1, ptr2, len2, ptr3, len3);
+        var ptr5 = ret[0];
+        var len5 = ret[1];
+        if (ret[3]) {
+            ptr5 = 0; len5 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred6_0 = ptr5;
+        deferred6_1 = len5;
+        return getStringFromWasm0(ptr5, len5);
+    } finally {
+        wasm.__wbindgen_free(deferred6_0, deferred6_1, 1);
     }
-    return takeFromExternrefTable0(ret[0]);
 }
 
 /**
@@ -2307,6 +3160,96 @@ export function pxrd_info(text, radiation, max_two_theta, step) {
     return takeFromExternrefTable0(ret[0]);
 }
 
+/**
+ * Total and partial RDF as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or range.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {number} r_max
+ * @param {number} bin_width
+ * @param {number} smoothing
+ * @returns {string}
+ */
+export function radial_distribution(text, format_hint, r_max, bin_width, smoothing) {
+    let deferred7_0;
+    let deferred7_1;
+    try {
+        const val3 = +r_max;
+        const val4 = +bin_width;
+        const val5 = +smoothing;
+        let ptr0, len0, ptr1, len1;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.radial_distribution(ptr0, len0, ptr1, len1, val3, val4, val5);
+        var ptr6 = ret[0];
+        var len6 = ret[1];
+        if (ret[3]) {
+            ptr6 = 0; len6 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred7_0 = ptr6;
+        deferred7_1 = len6;
+        return getStringFromWasm0(ptr6, len6);
+    } finally {
+        wasm.__wbindgen_free(deferred7_0, deferred7_1, 1);
+    }
+}
+
+/**
+ * Random displacements with a fixed seed; returns structure JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or options.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {string} options_json
+ * @returns {string}
+ */
+export function rattle(text, format_hint, options_json) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        let ptr0, len0, ptr1, len1, ptr2, len2;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.rattle(ptr0, len0, ptr1, len1, ptr2, len2);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
+}
+
 /**
  * Reads a CIF and returns its summary object.
  *
@@ -2693,6 +3636,50 @@ export function slab_info(text, h, k, l, layers, vacuum) {
     return takeFromExternrefTable0(ret[0]);
 }
 
+/**
+ * Every termination of a surface as JSON with structure documents.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or a degenerate plane.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {string} options_json
+ * @returns {string}
+ */
+export function slab_terminations(text, format_hint, options_json) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        let ptr0, len0, ptr1, len1, ptr2, len2;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.slab_terminations(ptr0, len0, ptr1, len1, ptr2, len2);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
+}
+
 /**
  * Cuts a slab and returns it as CIF text.
  *
@@ -2723,14 +3710,106 @@ export function slab_text(text, h, k, l, layers, vacuum) {
         var ptr7 = ret[0];
         var len7 = ret[1];
         if (ret[3]) {
-            ptr7 = 0; len7 = 0;
+            ptr7 = 0; len7 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred8_0 = ptr7;
+        deferred8_1 = len7;
+        return getStringFromWasm0(ptr7, len7);
+    } finally {
+        wasm.__wbindgen_free(deferred8_0, deferred8_1, 1);
+    }
+}
+
+/**
+ * SQS generation as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for a structure without binary disorder.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {string} options_json
+ * @returns {string}
+ */
+export function special_quasirandom(text, format_hint, options_json) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        let ptr0, len0, ptr1, len1, ptr2, len2;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.special_quasirandom(ptr0, len0, ptr1, len1, ptr2, len2);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
+}
+
+/**
+ * Stacks a film on a substrate; returns structure JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for empty slabs or invalid options.
+ * @param {string} film
+ * @param {string} substrate
+ * @param {string} format_hint
+ * @param {string} options_json
+ * @returns {string}
+ */
+export function stack_slabs(film, substrate, format_hint, options_json) {
+    let deferred6_0;
+    let deferred6_1;
+    try {
+        let ptr0, len0, ptr1, len1, ptr2, len2, ptr3, len3;
+        try {
+            ptr0 = passStringToWasm0(film, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(substrate, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+            ptr3 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len3 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr3) { wasm.__wbindgen_free(ptr3, len3 * 1, 1); }
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.stack_slabs(ptr0, len0, ptr1, len1, ptr2, len2, ptr3, len3);
+        var ptr5 = ret[0];
+        var len5 = ret[1];
+        if (ret[3]) {
+            ptr5 = 0; len5 = 0;
             throw takeFromExternrefTable0(ret[2]);
         }
-        deferred8_0 = ptr7;
-        deferred8_1 = len7;
-        return getStringFromWasm0(ptr7, len7);
+        deferred6_0 = ptr5;
+        deferred6_1 = len5;
+        return getStringFromWasm0(ptr5, len5);
     } finally {
-        wasm.__wbindgen_free(deferred8_0, deferred8_1, 1);
+        wasm.__wbindgen_free(deferred6_0, deferred6_1, 1);
     }
 }
 
@@ -2787,6 +3866,50 @@ export function standardize_text(text, symprec) {
     }
 }
 
+/**
+ * Structure fingerprint as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or range.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {number} r_max
+ * @param {number} bin_width
+ * @returns {string}
+ */
+export function structure_fingerprint(text, format_hint, r_max, bin_width) {
+    let deferred6_0;
+    let deferred6_1;
+    try {
+        const val3 = +r_max;
+        const val4 = +bin_width;
+        let ptr0, len0, ptr1, len1;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.structure_fingerprint(ptr0, len0, ptr1, len1, val3, val4);
+        var ptr5 = ret[0];
+        var len5 = ret[1];
+        if (ret[3]) {
+            ptr5 = 0; len5 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred6_0 = ptr5;
+        deferred6_1 = len5;
+        return getStringFromWasm0(ptr5, len5);
+    } finally {
+        wasm.__wbindgen_free(deferred6_0, deferred6_1, 1);
+    }
+}
+
 /**
  * Summary of a structure JSON document.
  *
@@ -2825,6 +3948,52 @@ export function subgroups_info(hall_number, epsilon) {
     return takeFromExternrefTable0(ret[0]);
 }
 
+/**
+ * Symmetry-unique substitutions as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or species.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {string} species
+ * @param {number} min_image
+ * @returns {string}
+ */
+export function substitutions(text, format_hint, species, min_image) {
+    let deferred6_0;
+    let deferred6_1;
+    try {
+        const val4 = +min_image;
+        let ptr0, len0, ptr1, len1, ptr2, len2;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(species, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.substitutions(ptr0, len0, ptr1, len1, ptr2, len2, val4);
+        var ptr5 = ret[0];
+        var len5 = ret[1];
+        if (ret[3]) {
+            ptr5 = 0; len5 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred6_0 = ptr5;
+        deferred6_1 = len5;
+        return getStringFromWasm0(ptr5, len5);
+    } finally {
+        wasm.__wbindgen_free(deferred6_0, deferred6_1, 1);
+    }
+}
+
 /**
  * Builds a supercell and returns its summary object.
  *
@@ -3007,6 +4176,92 @@ export function twist_info(n, m, theta, layers) {
     return takeFromExternrefTable0(ret[0]);
 }
 
+/**
+ * Symmetry-unique Miller indices as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or a bad index bound.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {string} options_json
+ * @returns {string}
+ */
+export function unique_miller_indices(text, format_hint, options_json) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        let ptr0, len0, ptr1, len1, ptr2, len2;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.unique_miller_indices(ptr0, len0, ptr1, len1, ptr2, len2);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
+}
+
+/**
+ * Symmetry-unique vacancies as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or distance.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {number} min_image
+ * @returns {string}
+ */
+export function vacancies(text, format_hint, min_image) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        const val3 = +min_image;
+        let ptr0, len0, ptr1, len1;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.vacancies(ptr0, len0, ptr1, len1, val3);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
+}
+
 /**
  * Version of the workspace.
  * @returns {string}
@@ -3024,6 +4279,48 @@ export function version() {
     }
 }
 
+/**
+ * Periodic Voronoi cells as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or cutoff.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {number} cutoff
+ * @returns {string}
+ */
+export function voronoi(text, format_hint, cutoff) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        const val3 = +cutoff;
+        let ptr0, len0, ptr1, len1;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.voronoi(ptr0, len0, ptr1, len1, val3);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
+}
+
 /**
  * Archives run records (a JSON array) into an in-memory ZIP.
  *
@@ -3064,6 +4361,50 @@ export function workspace_read_archive(bytes) {
     return takeFromExternrefTable0(ret[0]);
 }
 
+/**
+ * Wulff construction as JSON.
+ *
+ * # Errors
+ *
+ * Returns a JavaScript `Error` for invalid text or surface energies.
+ * @param {string} text
+ * @param {string} format_hint
+ * @param {string} options_json
+ * @returns {string}
+ */
+export function wulff(text, format_hint, options_json) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        let ptr0, len0, ptr1, len1, ptr2, len2;
+        try {
+            ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len0 = WASM_VECTOR_LEN;
+            ptr1 = passStringToWasm0(format_hint, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len1 = WASM_VECTOR_LEN;
+            ptr2 = passStringToWasm0(options_json, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+            len2 = WASM_VECTOR_LEN;
+        } catch (e) {
+            if (ptr2) { wasm.__wbindgen_free(ptr2, len2 * 1, 1); }
+            if (ptr1) { wasm.__wbindgen_free(ptr1, len1 * 1, 1); }
+            if (ptr0) { wasm.__wbindgen_free(ptr0, len0 * 1, 1); }
+            throw e;
+        }
+        const ret = wasm.wulff(ptr0, len0, ptr1, len1, ptr2, len2);
+        var ptr4 = ret[0];
+        var len4 = ret[1];
+        if (ret[3]) {
+            ptr4 = 0; len4 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred5_0 = ptr4;
+        deferred5_1 = len4;
+        return getStringFromWasm0(ptr4, len4);
+    } finally {
+        wasm.__wbindgen_free(deferred5_0, deferred5_1, 1);
+    }
+}
+
 /**
  * Returns Wyckoff assignments.
  *
@@ -3129,6 +4470,14 @@ export function __wbg___wbindgen_debug_string_f249a2a76caa9a55(arg0, arg1) {
     getDataViewMemory0().setInt32((arg0 >>> 0) + 4 * 1, len1, true);
     getDataViewMemory0().setInt32((arg0 >>> 0) + 4 * 0, ptr1, true);
 }
+export function __wbg___wbindgen_string_get_7ce8eee7fd327545(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 >>> 0) + 4 * 1, len1, true);
+    getDataViewMemory0().setInt32((arg0 >>> 0) + 4 * 0, ptr1, true);
+}
 export function __wbg___wbindgen_throw_4c88d8bf264fd984(arg0, arg1) {
     throw new Error(getStringFromWasm0(arg0, arg1));
 }
@@ -3328,6 +4677,16 @@ function passArrayF64ToWasm0(arg, malloc) {
     return ptr;
 }
 
+function passArrayJsValueToWasm0(array, malloc) {
+    const ptr = malloc(array.length * 4, 4) >>> 0;
+    for (let i = 0; i < array.length; i++) {
+        const add = addToExternrefTable0(array[i]);
+        getDataViewMemory0().setUint32(ptr + 4 * i, add, true);
+    }
+    WASM_VECTOR_LEN = array.length;
+    return ptr;
+}
+
 function passStringToWasm0(arg, malloc, realloc) {
     if (realloc === undefined) {
         const buf = cachedTextEncoder.encode(arg);