@cosmol-studio/cosmolkit 0.5.0-rc.22 → 0.5.0

package/package.json

@@ -1,11 +1,11 @@
 {
   "name": "@cosmol-studio/cosmolkit",
-  "version": "0.5.0-rc.22",
+  "version": "0.5.0",
   "cosmolkitPreset": "full",
-  "cosmolkitVersion": "0.5.0-rc.22",
+  "cosmolkitVersion": "0.5.0",
   "publishConfig": {
     "access": "public",
-    "tag": "rc"
+    "tag": "latest"
   },
   "description": "WebAssembly bindings for COSMolKit",
   "type": "module",

package/wasm_wasm.d.ts

@@ -1708,8 +1708,8 @@ export class CxSmilesFields {
     bits(): number;
     contains(other: CxSmilesFields): boolean;
     or(other: CxSmilesFields): CxSmilesFields;
-    static readonly ALL_BUT_COORDS: CxSmilesFields;
     static readonly ALL: CxSmilesFields;
+    static readonly ALL_BUT_COORDS: CxSmilesFields;
     static readonly ATOM_LABELS: CxSmilesFields;
     static readonly ATOM_PROPS: CxSmilesFields;
     static readonly BOND_ATROPISOMER: CxSmilesFields;
@@ -2499,10 +2499,10 @@ export class Molecule {
     alignmentTransformTo(reference: Molecule): AlignmentResult;
     allConformerBestRmsdsWithParams(params: AllConformerRmsdParameters): ConformerRmsd[];
     allConformerBestRmsds(): ConformerRmsd[];
-    applyReactionWithParams_(reaction: Reaction, params: ReactionApplyParams): boolean;
     applyReactionWithParams(reaction: Reaction, params: ReactionApplyParams): ReactionApplyResult;
-    applyReaction_(reaction: Reaction): boolean;
+    applyReactionWithParams_(reaction: Reaction, params: ReactionApplyParams): boolean;
     applyReaction(reaction: Reaction): ReactionApplyResult;
+    applyReaction_(reaction: Reaction): boolean;
     assignAromaticityWithParams(params: AromaticityParams): void;
     assignAromaticity(): void;
     assignRadicals(): void;
@@ -2762,10 +2762,10 @@ export class Molecule {
     static readXyz(text: string): Molecule;
     removeHydrogensWithParams(params: RemoveHsParams): void;
     removeHydrogens(): void;
-    sanitizeWithParams_(params: SanitizeParams): void;
     sanitizeWithParams(params: SanitizeParams): Molecule;
-    sanitize_(): void;
+    sanitizeWithParams_(params: SanitizeParams): void;
     sanitize(): Molecule;
+    sanitize_(): void;
     /**
      * Returns SDF data-field names in their source order, including duplicates.
      */
@@ -4275,10 +4275,10 @@ export class SanitizeOperations {
     or(other: SanitizeOperations): SanitizeOperations;
     static readonly ADJUST_HS: SanitizeOperations;
     static readonly ALL: SanitizeOperations;
+    static readonly CLEANUP: SanitizeOperations;
     static readonly CLEANUP_ATROPISOMERS: SanitizeOperations;
     static readonly CLEANUP_CHIRALITY: SanitizeOperations;
     static readonly CLEANUP_ORGANOMETALLICS: SanitizeOperations;
-    static readonly CLEANUP: SanitizeOperations;
     static readonly FIND_RADICALS: SanitizeOperations;
     static readonly KEKULIZE: SanitizeOperations;
     static readonly NONE: SanitizeOperations;
@@ -7984,56 +7984,56 @@ export interface InitOutput {
     readonly xyzwriteparams_conformerId: (a: number) => any;
     readonly xyzwriteparams_new: (a: any, b: any) => [number, number, number];
     readonly xyzwriteparams_precision: (a: number) => number;
-    readonly wasm_bindgen__convert__closures________invoke__h027f835dec6b5dc4: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h027f835dec6b5dc4_1119: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h027f835dec6b5dc4_1695: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h027f835dec6b5dc4_2462: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h0f4a7e6d86f09ea5: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h1fe28b9480c5f99e: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h1fe28b9480c5f99e_1834: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h1fe28b9480c5f99e_2081: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h1fe28b9480c5f99e_2135: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h1fe28b9480c5f99e_2320: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h1fe28b9480c5f99e_2343: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h1fe28b9480c5f99e_2471: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h2c06b7bd5cae812e: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h2ce3f251fafc672b: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h2ce3f251fafc672b_2353: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h2ce3f251fafc672b_2385: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h2ce3f251fafc672b_2470: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h2ce3f251fafc672b_2568: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h2ce3f251fafc672b_490: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h397d9e5499cda2ae: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h3e8d0c97ef9fd1de: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h3f17dbaf6d1aca04: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h3f17dbaf6d1aca04_1694: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h3f17dbaf6d1aca04_1966: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h3f17dbaf6d1aca04_2547: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h4ca5fcf311a86d1c: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h4e1db2ebccd659b7: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h510876acacbe6062: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h510876acacbe6062_1833: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h693dfcc8c55ef4a1: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h6a84d974dab9747a: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h705285a18a586c0e: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h705285a18a586c0e_2195: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h705285a18a586c0e_2196: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h71a1ef6097c35741: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h798ee492b5c16f13: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h7bf45e04c4dbc22e: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h7bf45e04c4dbc22e_886: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h8c0e2e1ea7f9d970: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h8cd11c86065f1cf7: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__h9c5e1b083943e769: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__ha3c0b679d8cbe829: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__hab5ce57195e6cba3: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__hb9e9be6e633a30d2: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__hbb5d7e626447de1e: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__hc8a8d9e7c6fd36a5: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__hd1ef48d5e6f61b72: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__heb91dd88953757ff: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__hedee9ff82f963323: (a: number, b: number, c: number) => void;
-    readonly wasm_bindgen__convert__closures________invoke__hf062f03608f3c6d2: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h027c023463c9a1c2: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h0287ee98aa42a2e9: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h0287ee98aa42a2e9_1833: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h0309150001682f98: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h0309150001682f98_886: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h14d01b60c837a910: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h1c2126dff3a8f18e: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h1f8c3d68b274c0ed: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h1f8c3d68b274c0ed_1119: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h1f8c3d68b274c0ed_1694: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h1f8c3d68b274c0ed_2462: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h20a112fc46339e86: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h23e5e675077fad47: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h23e5e675077fad47_2353: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h23e5e675077fad47_2384: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h23e5e675077fad47_2471: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h23e5e675077fad47_2568: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h23e5e675077fad47_490: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h27027c6713c16b03: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h2f2d85e5c5f2cd04: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h37ab9a5e5efb0ddc: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h37ab9a5e5efb0ddc_1695: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h37ab9a5e5efb0ddc_1966: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h37ab9a5e5efb0ddc_2547: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h3b2dc232efbbe74a: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h3b2dc232efbbe74a_2195: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h3b2dc232efbbe74a_2196: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h5281038a78b3b777: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h5281038a78b3b777_1834: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h5281038a78b3b777_2081: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h5281038a78b3b777_2135: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h5281038a78b3b777_2319: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h5281038a78b3b777_2343: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h5281038a78b3b777_2470: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h5852be916ada2868: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h66be3d054e097a02: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h8e57103a2e7b3ffd: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__h998507448e3f06e7: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__ha0d1015cb481938f: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__ha680f47686b9581c: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__ha68fb24c7e198acf: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__ha87e067f56f20cc4: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__hac16c8060b23fcd3: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__hb10c2eb94521e39b: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__hb21db900226e65f9: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__hb7c97f454e1e197f: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__hbac3b37819f4704c: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__hc366304b635102ae: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__hc6fedcedb91d85df: (a: number, b: number, c: number) => void;
+    readonly wasm_bindgen__convert__closures________invoke__hf7afb5e34a2f441e: (a: number, b: number, c: number) => void;
     readonly __wbindgen_malloc: (a: number, b: number) => number;
     readonly __wbindgen_realloc: (a: number, b: number, c: number, d: number) => number;
     readonly __wbindgen_exn_store: (a: number) => void;