@cosmol-studio/cosmolkit-core-analysis 0.6.0-rc.1 → 0.6.0-rc.3

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.
@@ -4572,6 +4572,7 @@ 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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@@ -5582,7 +5583,7 @@ 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;
@@ -9213,9 +9214,9 @@ 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: readonly [LigandRef, LigandRef, LigandRef, LigandRef]);
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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 {
@@ -11749,6 +11750,7 @@ 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;
@@ -12216,7 +12218,7 @@ 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;
@@ -14081,55 +14083,55 @@ export interface InitOutput {
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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_3468: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_708_3471: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_708_3469: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_708_3472: (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_3481: (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_3482: (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_3489: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_708_3492: (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_3490: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_708_3493: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_708_3498: (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_3499: (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_3504: (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_3505: (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_3514: (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_3511: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_708_3515: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_708_3517: (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_3530: (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_3520: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_708_3531: (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_3537: (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_3538: (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_3539: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_708_3541: (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_3542: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_708_3544: (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_3545: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_708_3547: (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;
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  readonly __wasm_bindgen_func_elem_708_3550: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_708_3551: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_708_40: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_708_42: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_708_43: (a: number, b: number, c: number) => void;
@@ -14138,20 +14140,20 @@ export interface InitOutput {
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  readonly __wasm_bindgen_func_elem_715: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_717: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_719: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_719_2578: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_719_2579: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_725: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_729: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_731: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_731_3503: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_731_3515: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_731_3539: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_731_3542: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_731_3545: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_731_3551: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_731_3504: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_731_3516: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_731_3540: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_731_3543: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_731_3546: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_731_3552: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_733: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_736: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_736_3502: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_736_3523: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_736_3503: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_736_3524: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_740: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_744: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_746: (a: number, b: number, c: number) => void;