@kent-tokyo/chematic 0.43.0 → 0.45.0

package/chematic_wasm.d.ts

@@ -667,6 +667,17 @@ export function compare_molecules_json(smiles1: string, smiles2: string): string
  */
 export function conformer_ensemble_json(mol: MolHandle, n: number, rmsd_threshold: number): string;
 
+/**
+ * Convert between common topology-bearing molecular formats.
+ *
+ * This is the WASM counterpart of Python's `convert_format`. It supports
+ * SMILES, MOL/SDF, MOL V3000, MOL2, CML, ChemicalJSON, MolJSON, and CDXML.
+ * Coordinates and format-specific metadata are intentionally not carried
+ * across this topology-only bridge; use the format-specific coordinate APIs
+ * when those fields must be preserved.
+ */
+export function convert_common_format(text: string, input_format: string, output_format: string): string;
+
 /**
  * Return the CPK color (CSS hex string) for the given element symbol.
  *
@@ -2618,6 +2629,7 @@ export interface InitOutput {
     readonly conformerhandle_mol: (a: number) => number;
     readonly conformerhandle_new: (a: number, b: number) => [number, number, number];
     readonly conformerhandle_remove_conformer: (a: number, b: number) => number;
+    readonly convert_common_format: (a: number, b: number, c: number, d: number, e: number, f: number) => [number, number, number, number];
     readonly cpk_color: (a: number, b: number) => [number, number];
     readonly cube_grid_json: (a: number, b: number) => [number, number, number, number];
     readonly cube_shape_u32: (a: number, b: number) => [number, number, number];

package/chematic_wasm.js

@@ -1604,6 +1604,44 @@ export function conformer_ensemble_json(mol, n, rmsd_threshold) {
     }
 }
 
+/**
+ * Convert between common topology-bearing molecular formats.
+ *
+ * This is the WASM counterpart of Python's `convert_format`. It supports
+ * SMILES, MOL/SDF, MOL V3000, MOL2, CML, ChemicalJSON, MolJSON, and CDXML.
+ * Coordinates and format-specific metadata are intentionally not carried
+ * across this topology-only bridge; use the format-specific coordinate APIs
+ * when those fields must be preserved.
+ * @param {string} text
+ * @param {string} input_format
+ * @param {string} output_format
+ * @returns {string}
+ */
+export function convert_common_format(text, input_format, output_format) {
+    let deferred5_0;
+    let deferred5_1;
+    try {
+        const ptr0 = passStringToWasm0(text, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+        const len0 = WASM_VECTOR_LEN;
+        const ptr1 = passStringToWasm0(input_format, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+        const len1 = WASM_VECTOR_LEN;
+        const ptr2 = passStringToWasm0(output_format, wasm.__wbindgen_malloc, wasm.__wbindgen_realloc);
+        const len2 = WASM_VECTOR_LEN;
+        const ret = wasm.convert_common_format(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);
+    }
+}
+
 /**
  * Return the CPK color (CSS hex string) for the given element symbol.
  *

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": "0.43.0",
+  "version": "0.45.0",
   "license": "MIT OR Apache-2.0",
   "repository": {
     "type": "git",