renkin 0.52.0 → 0.54.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/README.md +6 -1
- package/package.json +1 -1
- package/renkin.js +6 -2
- package/renkin_bg.wasm +0 -0
package/README.md
CHANGED
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@@ -563,6 +563,11 @@ The JSON output includes `avg_nodes_expanded`, `avg_confidence`, `avg_convergenc
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| `plan_with_constraints` | Constraint-DSL planning (element filters, step limits, confidence thresholds) |
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| `estimate_diversity` | Route diversity and coverage metrics |
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+
`find_routes` also accepts `search_mode: "coverage"` with a required
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`coverage_templates` path. It runs the standard Stage 1 first and escalates
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to Stage 2 only when Stage 1 finds no route; the response reports the selected
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stage, timeout status, and per-stage elapsed time.
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+
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The server auto-detects `data/building_blocks.smi` and `data/templates_extracted_5000.smi` in the working directory. Falls back to the embedded `DEFAULT_BUILDING_BLOCKS` / `default_rules()` defaults if not found (152 unique building blocks per `ChemEnv::bb_count()`, 21 handcrafted rules — verified 2026-08-29, after `heck_retro`'s removal (ring-fusion connectivity-collapse defect on internal alkenes fused to the same aromatic ring the leaving-group Br attaches to, confirmed by direct `apply_retro` reproduction on indene) dropped the count from 22, which itself followed `negishi_retro`'s and `grignard_addition_retro`'s removal (v0.36.0 rule-safety census: same ring-fused-atom-duplication defect as `aryl_amine_retro`/`buchwald_hartwig_retro`) dropping it from 24; a "509-BB / 20-rule" figure was previously documented here without verification).
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```bash
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@@ -602,7 +607,7 @@ Target SMILES
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┌─────────────────────────┐
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│ chem_env.rs │ ← chematic wrapper
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│ - SMILES parse │ canonical-SMILES FxHashSet BB lookup (O(1))
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-
│ -
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│ - 21 built-in + up to 50k via --templates │ fragment sanitization + ring-leak filter
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│ - Building block check │ apply_retro memoization cache
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└────────────┬────────────┘
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│ par_iter (rayon / sequential on WASM)
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package/package.json
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@@ -5,7 +5,7 @@
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"kent-tokyo <kent-tokyo@users.noreply.github.com>"
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],
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"description": "Ultra-fast retrosynthesis engine for computer-aided synthesis planning (CASP) — pure Rust, WASM-ready, Python bindings via PyO3",
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"version": "0.
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"version": "0.54.0",
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"license": "MIT",
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"repository": {
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"type": "git",
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package/renkin.js
CHANGED
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@@ -347,7 +347,7 @@ export function version() {
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function __wbg_get_imports() {
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const import0 = {
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__proto__: null,
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-
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__wbg___wbindgen_throw_bb96b2010945f0bc: function(arg0, arg1) {
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throw new Error(getStringFromWasm0(arg0, arg1));
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},
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__wbindgen_init_externref_table: function() {
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@@ -456,11 +456,15 @@ function __wbg_finalize_init(instance, module) {
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async function __wbg_load(module, imports) {
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if (typeof Response === 'function' && module instanceof Response) {
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if (!module.ok) {
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throw new Error(`failed to fetch Wasm: ${module.status} ${module.statusText} fetching '${module.url}'`);
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}
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if (typeof WebAssembly.instantiateStreaming === 'function') {
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try {
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return await WebAssembly.instantiateStreaming(module, imports);
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} catch (e) {
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const validResponse =
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const validResponse = expectedResponseType(module.type);
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if (validResponse && module.headers.get('Content-Type') !== 'application/wasm') {
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console.warn("`WebAssembly.instantiateStreaming` failed because your server does not serve Wasm with `application/wasm` MIME type. Falling back to `WebAssembly.instantiate` which is slower. Original error:\n", e);
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package/renkin_bg.wasm
CHANGED
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Binary file
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