@kent-tokyo/chematic 1.0.7 → 1.0.9

package/README.md

@@ -162,7 +162,7 @@ and enforced correctly on all of them.
 
 ## Bundle Size
 
-The optimized v1.0.2-candidate artifact was measured at **3.30 MB raw / 1.21 MB gzip**. Bundle size depends on features and toolchain; see [`benchmarks/2026-09-04-wasm-size.md`](../../benchmarks/2026-09-04-wasm-size.md) for exact tools, digest, and reproduction steps.
+The optimized v1.0.9 candidate artifact was measured at **3.58 MB raw / 1.31 MB gzip**. Bundle size depends on features and toolchain; see [`benchmarks/2026-09-07-wasm-size-v1.0.9.md`](../../benchmarks/2026-09-07-wasm-size-v1.0.9.md) for exact tools, digest, and reproduction steps.
 
 PNG rasterization (`tiny_skia`) is excluded from the WASM build — use SVG output instead. All SVG depiction APIs remain fully available.
 

package/chematic_wasm.d.ts

@@ -584,6 +584,15 @@ export function canonical_tautomer(mol: MolHandle): MolHandle;
  */
 export function canonical_tautomer_with_blocked_atoms_json(mol: MolHandle, blocked_atom_indices_json: string): string;
 
+/**
+ * Canonicalize a bounded delimiter-separated SMILES batch.
+ *
+ * Each result retains its input index and original text. Invalid records are
+ * returned inline with `status: "rejected"`; later records are still
+ * processed in deterministic input order.
+ */
+export function canonicalize_smiles_batch_json(smiles_batch: string, delimiter: string): string;
+
 /**
  * Parse a CDXML document while preserving page and presentation objects.
  * The returned JSON contains an opaque `raw_xml` for each object so unknown
@@ -2664,6 +2673,7 @@ export interface InitOutput {
     readonly butina_cluster_ecfp4_json: (a: number, b: number, c: number) => [number, number, number, number];
     readonly canonical_tautomer: (a: number) => number;
     readonly canonical_tautomer_with_blocked_atoms_json: (a: number, b: number, c: number) => [number, number];
+    readonly canonicalize_smiles_batch_json: (a: number, b: number, c: number, d: number) => [number, number, number, number];
     readonly cdxml_document_json: (a: number, b: number) => [number, number, number, number];
     readonly cdxml_to_smiles_json: (a: number, b: number) => [number, number, number, number];
     readonly charge_parent_json: (a: number) => [number, number];

package/chematic_wasm.js

@@ -1368,6 +1368,39 @@ export function canonical_tautomer_with_blocked_atoms_json(mol, blocked_atom_ind
     }
 }
 
+/**
+ * Canonicalize a bounded delimiter-separated SMILES batch.
+ *
+ * Each result retains its input index and original text. Invalid records are
+ * returned inline with `status: "rejected"`; later records are still
+ * processed in deterministic input order.
+ * @param {string} smiles_batch
+ * @param {string} delimiter
+ * @returns {string}
+ */
+export function canonicalize_smiles_batch_json(smiles_batch, delimiter) {
+    let deferred4_0;
+    let deferred4_1;
+    try {
+        const ptr0 = passStringToWasm0(smiles_batch, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+        const len0 = WASM_VECTOR_LEN;
+        const ptr1 = passStringToWasm0(delimiter, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+        const len1 = WASM_VECTOR_LEN;
+        const ret = wasm.canonicalize_smiles_batch_json(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);
+    }
+}
+
 /**
  * Parse a CDXML document while preserving page and presentation objects.
  * The returned JSON contains an opaque `raw_xml` for each object so unknown

package/package.json

@@ -5,7 +5,7 @@
     "Kentaro Tanabe (kent-tokyo) <kent-tokyo@users.noreply.github.com>"
   ],
   "description": "WebAssembly bindings for chematic — use chematic from JavaScript/TypeScript",
-  "version": "1.0.7",
+  "version": "1.0.9",
   "license": "MIT OR Apache-2.0",
   "repository": {
     "type": "git",