@kent-tokyo/chematic 1.0.33 → 1.0.34
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 +1 -1
- package/chematic_wasm.d.ts +6 -4
- package/chematic_wasm.js +6 -4
- package/chematic_wasm_bg.wasm +0 -0
- package/package.json +1 -1
package/README.md
CHANGED
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@@ -4,7 +4,7 @@ WebAssembly bindings for [chematic](https://github.com/kent-tokyo/chematic), a p
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Published to npm as [`@kent-tokyo/chematic`](https://www.npmjs.com/package/@kent-tokyo/chematic).
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The current workspace line is 1.0.
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The current workspace line is 1.0.34. The binding keeps bounded parsing,
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typed failures, and opt-in `embed_pipeline_v2_json`; 3D/MMFF94 behavior remains
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Experimental and is not a claim of full RDKit parity.
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package/chematic_wasm.d.ts
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@@ -2458,10 +2458,12 @@ export function run_reactants(smirks: string, reactants_smiles: string): string;
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* Apply a SMIRKS template with explicit outcome accounting as a JSON string.
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*
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* `reactants_smiles` is pipe-separated, as for [`run_reactants`]. With
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* `rdkit_compat = true`,
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*
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* reason code
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*
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* `rdkit_compat = true`, matching and product stereochemistry follow pinned
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* RDKit 2026.03.6; inputs it cannot reproduce return `typed_unsupported` and
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* a stable reason code (`ambiguous_stereo_bond_order`,
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* `ez_reactant_template_semantics`, `chiral_reactant_template_semantics`)
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* instead of an apparently compatible product. Native semantics and the
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* existing [`run_reactants`] API are unchanged. Product graph/origin/
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* template-map parity remains a separate oracle gate. Source indices and
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* product-template map labels are returned alongside the product SMILES;
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* their atom positions match the canonical SMILES parse order.
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package/chematic_wasm.js
CHANGED
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@@ -6315,10 +6315,12 @@ export function run_reactants(smirks, reactants_smiles) {
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* Apply a SMIRKS template with explicit outcome accounting as a JSON string.
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*
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* `reactants_smiles` is pipe-separated, as for [`run_reactants`]. With
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* `rdkit_compat = true`,
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*
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* reason code
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*
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* `rdkit_compat = true`, matching and product stereochemistry follow pinned
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* RDKit 2026.03.6; inputs it cannot reproduce return `typed_unsupported` and
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* a stable reason code (`ambiguous_stereo_bond_order`,
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* `ez_reactant_template_semantics`, `chiral_reactant_template_semantics`)
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* instead of an apparently compatible product. Native semantics and the
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* existing [`run_reactants`] API are unchanged. Product graph/origin/
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* template-map parity remains a separate oracle gate. Source indices and
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* product-template map labels are returned alongside the product SMILES;
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* their atom positions match the canonical SMILES parse order.
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package/chematic_wasm_bg.wasm
CHANGED
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Binary file
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package/package.json
CHANGED
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@@ -5,7 +5,7 @@
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"Kentaro Tanabe (kent-tokyo) <kent-tokyo@users.noreply.github.com>"
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],
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"description": "WebAssembly bindings for chematic — use chematic from JavaScript/TypeScript",
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"version": "1.0.
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"version": "1.0.34",
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"license": "MIT OR Apache-2.0",
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"repository": {
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"type": "git",
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