@kent-tokyo/chematic 0.24.0 → 0.26.0

package/chematic_wasm.d.ts

@@ -2022,6 +2022,17 @@ export function rdkit_ecfp4_detail_json(mol: MolHandle): string;
  */
 export function rdkit_ecfp_config_bitvec(mol: MolHandle, radius: number, nbits: number): Uint8Array;
 
+/**
+ * Chirality-enabled variant of [`rdkit_ecfp_config_bitvec`]. E/Z bond stereo
+ * is not included by this API yet.
+ */
+export function rdkit_ecfp_config_chiral_bitvec(mol: MolHandle, radius: number, nbits: number): Uint8Array;
+
+/**
+ * Chirality-enabled variant of [`rdkit_ecfp_config_detail_json`].
+ */
+export function rdkit_ecfp_config_chiral_detail_json(mol: MolHandle, radius: number, nbits: number): string;
+
 /**
  * Same fingerprint as `rdkit_ecfp_config_bitvec`, plus the raw (unfolded) data -- see
  * `rdkit_ecfp4_detail_json` for the JSON shape (identical, generalized to this
@@ -2806,6 +2817,8 @@ export interface InitOutput {
     readonly rdkit_ecfp4_bitvec: (a: number) => [number, number, number, number];
     readonly rdkit_ecfp4_detail_json: (a: number) => [number, number, number, number];
     readonly rdkit_ecfp_config_bitvec: (a: number, b: number, c: number) => [number, number, number, number];
+    readonly rdkit_ecfp_config_chiral_bitvec: (a: number, b: number, c: number) => [number, number, number, number];
+    readonly rdkit_ecfp_config_chiral_detail_json: (a: number, b: number, c: number) => [number, number, number, number];
     readonly rdkit_ecfp_config_detail_json: (a: number, b: number, c: number) => [number, number, number, number];
     readonly remove_hydrogens: (a: number) => number;
     readonly retro_disconnect_json: (a: number, b: number, c: number, d: number) => [number, number, number, number];

package/chematic_wasm.js

@@ -5026,6 +5026,52 @@ export function rdkit_ecfp_config_bitvec(mol, radius, nbits) {
     return v1;
 }
 
+/**
+ * Chirality-enabled variant of [`rdkit_ecfp_config_bitvec`]. E/Z bond stereo
+ * is not included by this API yet.
+ * @param {MolHandle} mol
+ * @param {number} radius
+ * @param {number} nbits
+ * @returns {Uint8Array}
+ */
+export function rdkit_ecfp_config_chiral_bitvec(mol, radius, nbits) {
+    _assertClass(mol, MolHandle);
+    const ret = wasm.rdkit_ecfp_config_chiral_bitvec(mol.__wbg_ptr, radius, nbits);
+    if (ret[3]) {
+        throw takeFromExternrefTable0(ret[2]);
+    }
+    var v1 = getArrayU8FromWasm0(ret[0], ret[1]).slice();
+    wasm.__wbindgen_free(ret[0], ret[1] * 1, 1);
+    return v1;
+}
+
+/**
+ * Chirality-enabled variant of [`rdkit_ecfp_config_detail_json`].
+ * @param {MolHandle} mol
+ * @param {number} radius
+ * @param {number} nbits
+ * @returns {string}
+ */
+export function rdkit_ecfp_config_chiral_detail_json(mol, radius, nbits) {
+    let deferred2_0;
+    let deferred2_1;
+    try {
+        _assertClass(mol, MolHandle);
+        const ret = wasm.rdkit_ecfp_config_chiral_detail_json(mol.__wbg_ptr, radius, nbits);
+        var ptr1 = ret[0];
+        var len1 = ret[1];
+        if (ret[3]) {
+            ptr1 = 0; len1 = 0;
+            throw takeFromExternrefTable0(ret[2]);
+        }
+        deferred2_0 = ptr1;
+        deferred2_1 = len1;
+        return getStringFromWasm0(ptr1, len1);
+    } finally {
+        wasm.__wbindgen_free(deferred2_0, deferred2_1, 1);
+    }
+}
+
 /**
  * Same fingerprint as `rdkit_ecfp_config_bitvec`, plus the raw (unfolded) data -- see
  * `rdkit_ecfp4_detail_json` for the JSON shape (identical, generalized to this

package/package.json

@@ -5,7 +5,7 @@
     "kent-tokyo <kent-tokyo@users.noreply.github.com>"
   ],
   "description": "WebAssembly bindings for chematic — use chematic from JavaScript/TypeScript",
-  "version": "0.24.0",
+  "version": "0.26.0",
   "license": "MIT OR Apache-2.0",
   "repository": {
     "type": "git",