@cosmol-studio/cosmolkit-core-analysis 0.6.0-rc.2 → 0.6.0-rc.4
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/cosmolkit_wasm.d.ts
CHANGED
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@@ -187,7 +187,8 @@ export interface BatchQueryParamsOptions {
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*/
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progressBar?: BatchQueryParams["progressBar"];
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/**
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* One notification after every completed
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* One notification after every completed query row. Retained input errors
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* reject the query before any notification.
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*/
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progressCallback?: BatchQueryParams["progressCallback"];
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}
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@@ -2451,7 +2452,8 @@ export class BatchParams {
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}
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/**
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* Runtime overrides for ordered read results;
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* Runtime overrides for ordered read results; retained failures reject a query
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* before computation. New query failures also raise.
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*/
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export class BatchQueryParams {
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free(): void;
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@@ -2469,7 +2471,8 @@ export class BatchQueryParams {
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get progressBar(): boolean | undefined;
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set progressBar(value: BoolInput | null | undefined);
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/**
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* One notification after every completed
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* One notification after every completed query row. Retained input errors
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* reject the query before any notification.
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*/
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get progressCallback(): (() => void) | undefined;
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set progressCallback(value: (() => void) | null | undefined);
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@@ -3398,8 +3401,8 @@ export class CxSmilesFields {
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[Symbol.dispose](): void;
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contains(other: CxSmilesFields): boolean;
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union(other: CxSmilesFields): CxSmilesFields;
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static readonly ALL: CxSmilesFields;
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static readonly ALL_BUT_COORDS: CxSmilesFields;
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static readonly ALL: CxSmilesFields;
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static readonly ATOM_LABELS: CxSmilesFields;
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static readonly ATOM_PROPS: CxSmilesFields;
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static readonly BOND_ATROPISOMER: CxSmilesFields;
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@@ -4572,6 +4575,7 @@ export class LigandRef {
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static Atom(atom: IndexInput): LigandRef;
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constructor(atom?: IndexInput | null);
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static readonly ImplicitHydrogen: LigandRef;
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static readonly LonePair: LigandRef;
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readonly atomId: number | undefined;
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}
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@@ -5365,6 +5369,11 @@ export class Molecule {
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atomPropertyString(atom: IndexInput, key: TextInput): string | undefined;
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atomPropertyUint(atom: IndexInput, key: TextInput): number | undefined;
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atom(index: IndexInput): MoleculeAtom | undefined;
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/**
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* Return an independent Uint8Array of atomic numbers in atom-index order.
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* No atom handles are created; dummy atoms are zero. No free() is needed.
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*/
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atomicNumbers(): Uint8Array;
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bondPropertyString(bond: IndexInput, key: TextInput): string | undefined;
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bond(index: IndexInput): Bond | undefined;
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chi0NWithParams(force: BoolInput): number;
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@@ -5530,10 +5539,10 @@ export class Molecule {
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qed(): number;
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removeHydrogensWithParams_(params: RemoveHsParams | RemoveHsParamsOptions): void;
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removeHydrogens_(params?: RemoveHsParams | RemoveHsParamsOptions | null): void;
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sanitizeWithParams(params: SanitizeParams | SanitizeParamsOptions): Molecule;
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sanitizeWithParams_(params: SanitizeParams | SanitizeParamsOptions): void;
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-
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sanitizeWithParams(params: SanitizeParams | SanitizeParamsOptions): Molecule;
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sanitize_(params?: SanitizeParams | SanitizeParamsOptions | null): void;
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sanitize(params?: SanitizeParams | SanitizeParamsOptions | null): Molecule;
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set2dCoordinatesWithParams_(coordinates: CoordinateRows, params: Coordinate2DInputParams | Coordinate2DInputParamsOptions): void;
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set2dCoordinates_(coordinates: CoordinateRows, params?: Coordinate2DInputParams | Coordinate2DInputParamsOptions | null): void;
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set3dCoordinatesWithParams_(coordinates: Coordinates3D, params: Replace3DCoordinatesParams | Replace3DCoordinatesParamsOptions): void;
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@@ -5582,7 +5591,7 @@ export class Molecule {
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substructMatches(query: QueryGraph, params?: SubstructMatchParams | SubstructMatchParamsOptions | null): ReadonlyArray<MatchResult>;
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symmetrizedSssrWithParams(params: RingSearchParams | RingSearchParamsOptions): RingSearchResult;
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symmetrizedSssr(params?: RingSearchParams | RingSearchParamsOptions | null): RingSearchResult;
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tetrahedralStereo(): ReadonlyArray<TetrahedralStereo>;
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tetrahedralStereo(include_unassigned?: BoolInput | null): ReadonlyArray<TetrahedralStereo>;
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toBuilder(): MoleculeBuilder;
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toCxSmartsWithParams(params: SmartsWriteParams | SmartsWriteParamsOptions): string;
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toCxSmarts(params?: SmartsWriteParams | SmartsWriteParamsOptions | null): string;
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@@ -7661,10 +7670,10 @@ export class SanitizeOperations {
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union(other: SanitizeOperations): SanitizeOperations;
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static readonly ADJUST_HS: SanitizeOperations;
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static readonly ALL: SanitizeOperations;
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static readonly CLEANUP: SanitizeOperations;
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static readonly CLEANUP_ATROPISOMERS: SanitizeOperations;
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static readonly CLEANUP_CHIRALITY: SanitizeOperations;
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static readonly CLEANUP_ORGANOMETALLICS: SanitizeOperations;
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static readonly CLEANUP: SanitizeOperations;
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static readonly FIND_RADICALS: SanitizeOperations;
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static readonly KEKULIZE: SanitizeOperations;
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static readonly NONE: SanitizeOperations;
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@@ -9213,9 +9222,9 @@ export enum TemplateAttachmentOrderErrorKind {
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export class TetrahedralStereo {
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free(): void;
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[Symbol.dispose](): void;
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constructor(center: IndexInput, ligands
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constructor(center: IndexInput, ligands?: readonly [LigandRef, LigandRef, LigandRef, LigandRef] | null);
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readonly center: number;
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readonly ligands: readonly [LigandRef, LigandRef, LigandRef, LigandRef];
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readonly ligands: readonly [LigandRef, LigandRef, LigandRef, LigandRef] | undefined;
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}
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export class ThreadCountError {
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@@ -11749,6 +11758,7 @@ export interface InitOutput {
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readonly legacytopologicaltorsionparams_torsionAtomCount: (a: number, b: number) => void;
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readonly ligandref_Atom: (a: number, b: number) => void;
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readonly ligandref_ImplicitHydrogen: () => number;
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readonly ligandref_LonePair: () => number;
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readonly ligandref_atomId: (a: number) => number;
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readonly ligandref_new: (a: number, b: number) => void;
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readonly maccsfingerprinterror_cause: (a: number) => number;
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@@ -11990,6 +12000,7 @@ export interface InitOutput {
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readonly molecule_atomPropertyString: (a: number, b: number, c: number, d: number) => void;
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readonly molecule_atomPropertyStringVector: (a: number, b: number, c: number, d: number) => void;
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readonly molecule_atomPropertyUint: (a: number, b: number, c: number, d: number) => void;
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readonly molecule_atomicNumbers: (a: number, b: number) => void;
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readonly molecule_atoms: (a: number, b: number) => void;
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readonly molecule_bond: (a: number, b: number, c: number) => void;
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readonly molecule_bondPropertyString: (a: number, b: number, c: number, d: number) => void;
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@@ -12216,7 +12227,7 @@ export interface InitOutput {
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readonly molecule_substructMatchesWithParams: (a: number, b: number, c: number, d: number) => void;
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readonly molecule_symmetrizedSssr: (a: number, b: number, c: number) => void;
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readonly molecule_symmetrizedSssrWithParams: (a: number, b: number, c: number) => void;
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readonly molecule_tetrahedralStereo: (a: number, b: number) => void;
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readonly molecule_tetrahedralStereo: (a: number, b: number, c: number) => void;
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readonly molecule_toBuilder: (a: number) => number;
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readonly molecule_toCxSmarts: (a: number, b: number, c: number) => void;
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readonly molecule_toCxSmartsWithParams: (a: number, b: number, c: number) => void;
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@@ -14080,98 +14091,98 @@ export interface InitOutput {
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readonly xyzwriteparams_precision: (a: number, b: number) => void;
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readonly xyzwriteparams_set_conformerId: (a: number, b: number, c: number) => void;
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readonly xyzwriteparams_set_precision: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3470: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3473: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3474: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3475: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3476: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3477: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3478: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3483: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3484: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3485: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3486: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3487: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3488: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3489: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3491: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3494: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3495: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3500: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3501: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3502: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3503: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3506: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3507: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3508: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3509: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3510: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3511: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3512: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3516: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3518: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3519: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3521: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3532: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3533: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3534: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3535: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3536: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3537: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3539: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3540: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3542: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3543: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3545: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3546: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3548: (a: number, b: number, c: number) => void;
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readonly __wasm_bindgen_func_elem_708_3549: (a: number, b: number, c: number) => void;
|
|
14141
|
+
readonly __wasm_bindgen_func_elem_708_3550: (a: number, b: number, c: number) => void;
|
|
14142
|
+
readonly __wasm_bindgen_func_elem_708_3551: (a: number, b: number, c: number) => void;
|
|
14143
|
+
readonly __wasm_bindgen_func_elem_708_3552: (a: number, b: number, c: number) => void;
|
|
14144
|
+
readonly __wasm_bindgen_func_elem_708_40: (a: number, b: number, c: number) => void;
|
|
14145
|
+
readonly __wasm_bindgen_func_elem_708_42: (a: number, b: number, c: number) => void;
|
|
14146
|
+
readonly __wasm_bindgen_func_elem_708_43: (a: number, b: number, c: number) => void;
|
|
14147
|
+
readonly __wasm_bindgen_func_elem_708_44: (a: number, b: number, c: number) => void;
|
|
14148
|
+
readonly __wasm_bindgen_func_elem_713: (a: number, b: number, c: number) => void;
|
|
14149
|
+
readonly __wasm_bindgen_func_elem_715: (a: number, b: number, c: number) => void;
|
|
14150
|
+
readonly __wasm_bindgen_func_elem_717: (a: number, b: number, c: number) => void;
|
|
14151
|
+
readonly __wasm_bindgen_func_elem_719: (a: number, b: number, c: number) => void;
|
|
14152
|
+
readonly __wasm_bindgen_func_elem_719_2580: (a: number, b: number, c: number) => void;
|
|
14153
|
+
readonly __wasm_bindgen_func_elem_725: (a: number, b: number, c: number) => void;
|
|
14154
|
+
readonly __wasm_bindgen_func_elem_729: (a: number, b: number, c: number) => void;
|
|
14155
|
+
readonly __wasm_bindgen_func_elem_731: (a: number, b: number, c: number) => void;
|
|
14156
|
+
readonly __wasm_bindgen_func_elem_731_3505: (a: number, b: number, c: number) => void;
|
|
14157
|
+
readonly __wasm_bindgen_func_elem_731_3517: (a: number, b: number, c: number) => void;
|
|
14158
|
+
readonly __wasm_bindgen_func_elem_731_3541: (a: number, b: number, c: number) => void;
|
|
14159
|
+
readonly __wasm_bindgen_func_elem_731_3544: (a: number, b: number, c: number) => void;
|
|
14160
|
+
readonly __wasm_bindgen_func_elem_731_3547: (a: number, b: number, c: number) => void;
|
|
14161
|
+
readonly __wasm_bindgen_func_elem_731_3553: (a: number, b: number, c: number) => void;
|
|
14162
|
+
readonly __wasm_bindgen_func_elem_733: (a: number, b: number, c: number) => void;
|
|
14151
14163
|
readonly __wasm_bindgen_func_elem_736: (a: number, b: number, c: number) => void;
|
|
14152
|
-
readonly
|
|
14153
|
-
readonly
|
|
14154
|
-
readonly
|
|
14155
|
-
readonly
|
|
14156
|
-
readonly
|
|
14157
|
-
readonly
|
|
14158
|
-
readonly
|
|
14159
|
-
readonly
|
|
14160
|
-
readonly
|
|
14161
|
-
readonly
|
|
14162
|
-
readonly
|
|
14163
|
-
readonly
|
|
14164
|
-
readonly
|
|
14165
|
-
readonly
|
|
14166
|
-
readonly
|
|
14167
|
-
readonly
|
|
14168
|
-
readonly
|
|
14169
|
-
readonly
|
|
14170
|
-
readonly
|
|
14171
|
-
readonly
|
|
14172
|
-
readonly
|
|
14173
|
-
readonly
|
|
14174
|
-
readonly __wasm_bindgen_func_elem_793: (a: number, b: number, c: number) => void;
|
|
14164
|
+
readonly __wasm_bindgen_func_elem_736_3504: (a: number, b: number, c: number) => void;
|
|
14165
|
+
readonly __wasm_bindgen_func_elem_736_3525: (a: number, b: number, c: number) => void;
|
|
14166
|
+
readonly __wasm_bindgen_func_elem_740: (a: number, b: number, c: number) => void;
|
|
14167
|
+
readonly __wasm_bindgen_func_elem_744: (a: number, b: number, c: number) => void;
|
|
14168
|
+
readonly __wasm_bindgen_func_elem_746: (a: number, b: number, c: number) => void;
|
|
14169
|
+
readonly __wasm_bindgen_func_elem_748: (a: number, b: number, c: number) => void;
|
|
14170
|
+
readonly __wasm_bindgen_func_elem_750: (a: number, b: number, c: number) => void;
|
|
14171
|
+
readonly __wasm_bindgen_func_elem_752: (a: number, b: number, c: number) => void;
|
|
14172
|
+
readonly __wasm_bindgen_func_elem_754: (a: number, b: number, c: number) => void;
|
|
14173
|
+
readonly __wasm_bindgen_func_elem_756: (a: number, b: number, c: number) => void;
|
|
14174
|
+
readonly __wasm_bindgen_func_elem_762: (a: number, b: number, c: number) => void;
|
|
14175
|
+
readonly __wasm_bindgen_func_elem_764: (a: number, b: number, c: number) => void;
|
|
14176
|
+
readonly __wasm_bindgen_func_elem_766: (a: number, b: number, c: number) => void;
|
|
14177
|
+
readonly __wasm_bindgen_func_elem_768: (a: number, b: number, c: number) => void;
|
|
14178
|
+
readonly __wasm_bindgen_func_elem_770: (a: number, b: number, c: number) => void;
|
|
14179
|
+
readonly __wasm_bindgen_func_elem_774: (a: number, b: number, c: number) => void;
|
|
14180
|
+
readonly __wasm_bindgen_func_elem_776: (a: number, b: number, c: number) => void;
|
|
14181
|
+
readonly __wasm_bindgen_func_elem_780: (a: number, b: number, c: number) => void;
|
|
14182
|
+
readonly __wasm_bindgen_func_elem_782: (a: number, b: number, c: number) => void;
|
|
14183
|
+
readonly __wasm_bindgen_func_elem_784: (a: number, b: number, c: number) => void;
|
|
14184
|
+
readonly __wasm_bindgen_func_elem_786: (a: number, b: number, c: number) => void;
|
|
14185
|
+
readonly __wasm_bindgen_func_elem_790: (a: number, b: number, c: number) => void;
|
|
14175
14186
|
readonly __wbindgen_export: (a: number, b: number) => number;
|
|
14176
14187
|
readonly __wbindgen_export2: (a: number, b: number, c: number, d: number) => number;
|
|
14177
14188
|
readonly __wbindgen_export3: (a: number) => void;
|