@cosmol-studio/cosmolkit 0.5.0-rc.15 → 0.5.0-rc.17

package/README.md

@@ -12,6 +12,51 @@ exceptions; successful methods return strings, numbers, typed arrays, or new
 npm install @cosmol-studio/cosmolkit
 ```
 
+The default package is **full**; there is no need for an `@full` tag. Fixed
+smaller distributions use npm dist-tags on the same package:
+
+| Install suffix | Included public features |
+|---|---|
+| `@core` | `core`, including molecular IO and batch processing |
+| `@core-search` | `core + search` |
+| `@core-fingerprints` | `core + fingerprints` |
+| `@core-analysis` | `core + search + fingerprints + descriptors` |
+| `@core-reaction` | `core + reaction` (including search) |
+| `@core-depict` | `core + depict` |
+| `@core-3d` | `core + conformer` (including forcefields and alignment) |
+| `@core-bio` | `core + bio` |
+| `@core-inchi` | `core + inchi` |
+| no suffix | `full` |
+
+For example: `npm install @cosmol-studio/cosmolkit@core-bio`. Imports keep the
+same package name. Omitted domains are absent from both exports and TypeScript
+declarations; they are not runtime placeholders.
+
+WASM uses the Rust facade's feature tree, generated from its Cargo manifest.
+The platform exception is binary archives: `toBinary`/`fromBinary` and the
+binary-only encoding dependencies are not compiled, even in `full`.
+Query IO needs `search`; automatic 2D coordinate generation needs `depict`.
+Without these capabilities, shared IO entrypoints report an explicit error.
+
+Preset artifacts have distinct npm versions, such as `0.5.0-core-bio.0` or
+`0.5.0-rc.15.core-bio.0`, because npm cannot replace an existing name/version
+with different contents. The default full artifact keeps the Rust release
+version. Stable full releases update `latest`; full RC releases update `rc`,
+not `latest`. Preset tags track the most recently published corresponding
+artifact, including manually published RCs. Pin the resolved version or use a
+lockfile for reproducible installs.
+
+InChI is available in `core-inchi` and the default full package:
+
+```js
+const molecule = Molecule.fromSmiles("CCO");
+console.log(molecule.toInchi());
+console.log(molecule.toInchiKey());
+const restored = Molecule.fromInchi(molecule.toInchi());
+restored.free();
+molecule.free();
+```
+
 The package is browser/bundler-oriented. It can be used from Vite, webpack,
 Rollup, and other tools that support the web `WebAssembly` target.
 
@@ -43,10 +88,10 @@ background `.wasm` file on the same CDN host:
 <div id="molecule"></div>
 <script type="module">
   import init, { Molecule } from
-    "https://cdn.jsdelivr.net/npm/@cosmol-studio/cosmolkit@0.3.0/wasm_wasm.js";
+    "https://cdn.jsdelivr.net/npm/@cosmol-studio/cosmolkit@0.5.0/wasm_wasm.js";
 
   await init(
-    "https://cdn.jsdelivr.net/npm/@cosmol-studio/cosmolkit@0.3.0/wasm_wasm_bg.wasm",
+    "https://cdn.jsdelivr.net/npm/@cosmol-studio/cosmolkit@0.5.0/wasm_wasm_bg.wasm",
   );
   const molecule = Molecule.fromSmiles("c1ccccc1O");
   document.querySelector("#molecule").textContent = molecule.toSmiles();
@@ -68,7 +113,6 @@ More focused examples are in [`examples/vanilla`](./examples/vanilla/):
   coordinate arrays.
 - [`fingerprints.js`](./examples/vanilla/fingerprints.js): typed fingerprint
   bit vectors.
-- [`binary.js`](./examples/vanilla/binary.js): binary serialization roundtrip.
 - [`substructure.js`](./examples/vanilla/substructure.js): SMARTS matching and
   disconnected fragments.
 - [`stereo.js`](./examples/vanilla/stereo.js): stereochemistry and conformers.
@@ -177,8 +221,8 @@ such as `withHydrogens()`, `with2dCoordinates()`, and
 `with3dConformer()` return new values and leave the source value unchanged.
 
 Fingerprint methods return `Uint32Array` set-bit lists. Coordinate methods
-return flattened `Float64Array` values. Binary serialization returns a
-`Uint8Array`, which can be stored or transferred through a worker.
+return flattened `Float64Array` values. Native binary archives are intentionally
+not part of the WASM API.
 
 ## Examples
 
@@ -188,7 +232,6 @@ The examples are intentionally small and use only the published package:
 - [`examples/vanilla/cdn.html`](./examples/vanilla/cdn.html)
 - [`examples/vanilla/descriptors.js`](./examples/vanilla/descriptors.js)
 - [`examples/vanilla/fingerprints.js`](./examples/vanilla/fingerprints.js)
-- [`examples/vanilla/binary.js`](./examples/vanilla/binary.js)
 - [`examples/vanilla/substructure.js`](./examples/vanilla/substructure.js)
 - [`examples/vanilla/stereo.js`](./examples/vanilla/stereo.js)
 - [`examples/react/MoleculePanel.jsx`](./examples/react/MoleculePanel.jsx)

package/package.json

@@ -1,6 +1,12 @@
 {
   "name": "@cosmol-studio/cosmolkit",
-  "version": "0.5.0-rc.15",
+  "version": "0.5.0-rc.17",
+  "cosmolkitPreset": "full",
+  "cosmolkitVersion": "0.5.0-rc.17",
+  "publishConfig": {
+    "access": "public",
+    "tag": "rc"
+  },
   "description": "WebAssembly bindings for COSMolKit",
   "type": "module",
   "main": "wasm_wasm.js",

package/snippets/wasm-wasm-f225cc2ba4e6625c/inline16.js

@@ -0,0 +1 @@
+export function visitLayeredParams(value,visit){visit(value);}

package/snippets/wasm-wasm-f225cc2ba4e6625c/inline5.js

@@ -0,0 +1 @@
+export function visitInchiRead(v,f){f(v);} export function visitInchiWrite(v,f){f(v);}