@kent-tokyo/chematic 0.31.0 → 0.33.0

package/chematic_wasm.d.ts

@@ -2315,6 +2315,11 @@ export function stereo_parent_json(mol: MolHandle): string;
  */
 export function super_parent_json(mol: MolHandle, max_transforms: number, max_tautomers: number, timeout_ms?: bigint | null): string;
 
+/**
+ * Compute the composed Super Parent and expose every ordered stage.
+ */
+export function super_parent_report_json(mol: MolHandle, max_transforms: number, max_tautomers: number, timeout_ms?: bigint | null): string;
+
 /**
  * Tanimoto similarity between two molecules using AtomPair fingerprints.
  */
@@ -2873,6 +2878,7 @@ export interface InitOutput {
     readonly standardize_smiles_report_json: (a: number, b: number, c: number, d: number, e: number, f: number) => [number, number];
     readonly stereo_parent_json: (a: number) => [number, number];
     readonly super_parent_json: (a: number, b: number, c: number, d: number, e: bigint) => [number, number];
+    readonly super_parent_report_json: (a: number, b: number, c: number, d: number, e: bigint) => [number, number];
     readonly tanimoto_atom_pair: (a: number, b: number) => number;
     readonly tanimoto_ecfp4: (a: number, b: number) => number;
     readonly tanimoto_ecfp6: (a: number, b: number) => number;

package/chematic_wasm.js

@@ -5883,6 +5883,28 @@ export function super_parent_json(mol, max_transforms, max_tautomers, timeout_ms
     }
 }
 
+/**
+ * Compute the composed Super Parent and expose every ordered stage.
+ * @param {MolHandle} mol
+ * @param {number} max_transforms
+ * @param {number} max_tautomers
+ * @param {bigint | null} [timeout_ms]
+ * @returns {string}
+ */
+export function super_parent_report_json(mol, max_transforms, max_tautomers, timeout_ms) {
+    let deferred1_0;
+    let deferred1_1;
+    try {
+        _assertClass(mol, MolHandle);
+        const ret = wasm.super_parent_report_json(mol.__wbg_ptr, max_transforms, max_tautomers, !isLikeNone(timeout_ms), isLikeNone(timeout_ms) ? BigInt(0) : timeout_ms);
+        deferred1_0 = ret[0];
+        deferred1_1 = ret[1];
+        return getStringFromWasm0(ret[0], ret[1]);
+    } finally {
+        wasm.__wbindgen_free(deferred1_0, deferred1_1, 1);
+    }
+}
+
 /**
  * Tanimoto similarity between two molecules using AtomPair fingerprints.
  * @param {MolHandle} a

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": "0.31.0",
+  "version": "0.33.0",
   "license": "MIT OR Apache-2.0",
   "repository": {
     "type": "git",