@kent-tokyo/chematic 0.14.1 → 0.16.0

package/chematic_wasm.d.ts

@@ -597,7 +597,7 @@ export function cdxml_to_smiles_json(cdxml: string): string;
  * CIP stereo assignments via the accurate hierarchical-digraph engine, as a JSON
  * array of `{atomIdx, cipCode}` objects -- same shape as [`cip_assignments_json`],
  * but merges the accurate engine's tetrahedral R/S (~99.6% oracle-stable agreement,
- * see `docs/cip_accurate_rfc.md`) with legacy's E/Z and allene answers (the accurate
+ * see `docs/rfcs/cip_accurate_rfc.md`) with legacy's E/Z and allene answers (the accurate
  * engine computes neither). Atoms it can't resolve are omitted here -- see
  * [`cip_unresolved_json`] -- never a silently-guessed label. Returns `"null"` on an
  * internal engine error (budget-independent computations should not normally hit this).
@@ -1627,7 +1627,7 @@ export function random_smiles_json(smiles: string, count: number, seed: bigint):
  * `"rdkit-exact ecfp4: aromaticity: ..."`) if RDKit-parity aromaticity preprocessing
  * fails, never a silent fallback to `ecfp4_bitvec`'s Hückel-based engine -- the two
  * engines are not bit-compatible, so a silent substitution would look successful
- * while actually returning the wrong hash. See `docs/ecfp4_bitexact_api_rfc.md`.
+ * while actually returning the wrong hash. See `docs/rfcs/ecfp4_bitexact_api_rfc.md`.
  */
 export function rdkit_ecfp4_bitvec(mol: MolHandle): Uint8Array;
 

package/chematic_wasm.js

@@ -1402,7 +1402,7 @@ export function cdxml_to_smiles_json(cdxml) {
  * CIP stereo assignments via the accurate hierarchical-digraph engine, as a JSON
  * array of `{atomIdx, cipCode}` objects -- same shape as [`cip_assignments_json`],
  * but merges the accurate engine's tetrahedral R/S (~99.6% oracle-stable agreement,
- * see `docs/cip_accurate_rfc.md`) with legacy's E/Z and allene answers (the accurate
+ * see `docs/rfcs/cip_accurate_rfc.md`) with legacy's E/Z and allene answers (the accurate
  * engine computes neither). Atoms it can't resolve are omitted here -- see
  * [`cip_unresolved_json`] -- never a silently-guessed label. Returns `"null"` on an
  * internal engine error (budget-independent computations should not normally hit this).
@@ -4049,7 +4049,7 @@ export function random_smiles_json(smiles, count, seed) {
  * `"rdkit-exact ecfp4: aromaticity: ..."`) if RDKit-parity aromaticity preprocessing
  * fails, never a silent fallback to `ecfp4_bitvec`'s Hückel-based engine -- the two
  * engines are not bit-compatible, so a silent substitution would look successful
- * while actually returning the wrong hash. See `docs/ecfp4_bitexact_api_rfc.md`.
+ * while actually returning the wrong hash. See `docs/rfcs/ecfp4_bitexact_api_rfc.md`.
  * @param {MolHandle} mol
  * @returns {Uint8Array}
  */

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": "0.14.1",
+  "version": "0.16.0",
   "license": "MIT OR Apache-2.0",
   "repository": {
     "type": "git",