@kent-tokyo/chematic 1.0.6 → 1.0.8

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 v1.0.8 candidate artifact was measured at **3.58 MB raw / 1.31 MB gzip**. Bundle size depends on features and toolchain; see [`benchmarks/2026-09-06-wasm-size-v1.0.8.md`](../../benchmarks/2026-09-06-wasm-size-v1.0.8.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];
@@ -2814,6 +2824,7 @@ export interface InitOutput {
     readonly molecule_report_json: (a: number, b: number) => [number, number, number, number];
     readonly molhandle_aromatic_ring_count: (a: number) => number;
     readonly molhandle_assign_cip_json: (a: number) => [number, number];
+    readonly molhandle_atom_count: (a: number) => number;
     readonly molhandle_bbb_passes: (a: number) => number;
     readonly molhandle_bbb_score: (a: number) => number;
     readonly molhandle_bertz_ct: (a: number) => number;
@@ -2949,6 +2960,7 @@ export interface InitOutput {
     readonly sssr_rings_json: (a: number) => [number, number];
     readonly standardize_smiles: (a: number, b: number) => [number, number];
     readonly standardize_smiles_report_json: (a: number, b: number, c: number, d: number, e: number, f: number) => [number, number];
+    readonly start: () => void;
     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];
@@ -2987,8 +2999,6 @@ export interface InitOutput {
     readonly write_smiles: (a: number) => [number, number];
     readonly xlogp3_json: (a: number) => [number, number];
     readonly xlogp3_per_atom_json: (a: number) => [number, number];
-    readonly molhandle_atom_count: (a: number) => number;
-    readonly start: () => void;
     readonly __wbindgen_malloc: (a: number, b: number) => number;
     readonly __wbindgen_realloc: (a: number, b: number, c: number, d: number) => number;
     readonly __externref_table_alloc: () => 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
@@ -6954,11 +6987,11 @@ export function xlogp3_per_atom_json(mol) {
 function __wbg_get_imports() {
     const import0 = {
         __proto__: null,
-        __wbg___wbindgen_is_undefined_6cff064c44e0d823: function(arg0) {
+        __wbg___wbindgen_is_undefined_8c687d0b90d5b524: function(arg0) {
             const ret = arg0 === undefined;
             return ret;
         },
-        __wbg___wbindgen_string_get_d154f1e671052120: function(arg0, arg1) {
+        __wbg___wbindgen_string_get_92ab86bb19cbc12f: function(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);
@@ -6966,18 +6999,18 @@ function __wbg_get_imports() {
             getDataViewMemory0().setInt32(arg0 + 4 * 1, len1, true);
             getDataViewMemory0().setInt32(arg0 + 4 * 0, ptr1, true);
         },
-        __wbg___wbindgen_throw_bb96b2010945f0bc: function(arg0, arg1) {
+        __wbg___wbindgen_throw_5d9e815e6fdf150f: function(arg0, arg1) {
             throw new Error(getStringFromWasm0(arg0, arg1));
         },
-        __wbg_error_dd408a7b3cb542dd: function(arg0) {
+        __wbg_error_756c5934221e6fee: function(arg0) {
             console.error(arg0);
         },
-        __wbg_new_from_slice_8aed4f0384605526: function(arg0, arg1) {
-            const ret = new Uint32Array(getArrayU32FromWasm0(arg0, arg1));
+        __wbg_new_from_slice_3b4c7f1456059f80: function(arg0, arg1) {
+            const ret = new Float64Array(getArrayF64FromWasm0(arg0, arg1));
             return ret;
         },
-        __wbg_new_from_slice_f6e95bc2809a2b07: function(arg0, arg1) {
-            const ret = new Float64Array(getArrayF64FromWasm0(arg0, arg1));
+        __wbg_new_from_slice_a500ec81601be48f: function(arg0, arg1) {
+            const ret = new Uint32Array(getArrayU32FromWasm0(arg0, arg1));
             return ret;
         },
         __wbg_now_e7c6795a7f81e10f: function(arg0) {
@@ -6988,28 +7021,28 @@ function __wbg_get_imports() {
             const ret = arg0.performance;
             return ret;
         },
-        __wbg_static_accessor_GLOBAL_THIS_466428f93b4eaa76: function() {
-            const ret = typeof globalThis === 'undefined' ? null : globalThis;
+        __wbg_static_accessor_GLOBAL_8eb4cd83130a11a0: function() {
+            const ret = typeof global === 'undefined' ? null : global;
             return isLikeNone(ret) ? 0 : addToExternrefTable0(ret);
         },
-        __wbg_static_accessor_GLOBAL_c7aea38d4de089bc: function() {
-            const ret = typeof global === 'undefined' ? null : global;
+        __wbg_static_accessor_GLOBAL_THIS_1e7044f654e934db: function() {
+            const ret = typeof globalThis === 'undefined' ? null : globalThis;
             return isLikeNone(ret) ? 0 : addToExternrefTable0(ret);
         },
-        __wbg_static_accessor_SELF_42d4fae05e59267a: function() {
+        __wbg_static_accessor_SELF_d8b50611246a6d92: function() {
             const ret = typeof self === 'undefined' ? null : self;
             return isLikeNone(ret) ? 0 : addToExternrefTable0(ret);
         },
-        __wbg_static_accessor_WINDOW_e0db14a0eba6a812: function() {
+        __wbg_static_accessor_WINDOW_fd0bc376bf0f8b42: function() {
             const ret = typeof window === 'undefined' ? null : window;
             return isLikeNone(ret) ? 0 : addToExternrefTable0(ret);
         },
-        __wbindgen_cast_0000000000000001: function(arg0) {
+        __wbindgen_generic_0000000000000001: function(arg0) {
             // Cast intrinsic for `F64 -> Externref`.
             const ret = arg0;
             return ret;
         },
-        __wbindgen_cast_0000000000000002: function(arg0, arg1) {
+        __wbindgen_generic_0000000000000002: function(arg0, arg1) {
             // Cast intrinsic for `Ref(String) -> Externref`.
             const ret = getStringFromWasm0(arg0, arg1);
             return ret;

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": "1.0.6",
+  "version": "1.0.8",
   "license": "MIT OR Apache-2.0",
   "repository": {
     "type": "git",