@cosmol-studio/cosmolkit-core-bio 0.6.0-rc.2 → 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.
@@ -4657,6 +4657,7 @@ 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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@@ -5753,7 +5754,7 @@ export class Molecule {
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  setOnly3dConformer_(coordinates: Coordinates3D, params?: Coordinate3DInputParams | Coordinate3DInputParamsOptions | null): number;
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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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  toCxSmilesWithParams(params: CxSmilesWriteParams | CxSmilesWriteParamsOptions): string;
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  toCxSmiles(params?: CxSmilesWriteParams | CxSmilesWriteParamsOptions | null): string;
@@ -9453,9 +9454,9 @@ 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 TopologyBlock {
@@ -11879,6 +11880,7 @@ export interface InitOutput {
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  readonly legacystereoerrordetails_valence: (a: number) => number;
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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 mappingvalidationerror_details: (a: number) => number;
@@ -12238,7 +12240,7 @@ export interface InitOutput {
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  readonly molecule_setOnly3dConformer_: (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_toCxSmiles: (a: number, b: number, c: number) => void;
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  readonly molecule_toCxSmilesWithParams: (a: number, b: number, c: number) => void;
@@ -13758,37 +13760,37 @@ 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_700: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_700_3317: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_700_3320: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_700_3318: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3321: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3322: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_700_3324: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_700_3323: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3325: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_700_3329: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_700_3342: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_700_3347: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_700_3326: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_700_3330: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_700_3343: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3348: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3349: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3350: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_700_3352: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_700_3351: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3353: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_700_3362: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_700_3354: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3363: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3364: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3365: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_700_3368: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_700_3366: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3369: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3370: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3371: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_700_3401: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_700_3408: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_700_3410: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_700_3372: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_700_3402: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_700_3409: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3411: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_700_3413: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_700_3415: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_700_3412: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_700_3414: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3416: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3417: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_3418: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_700_3419: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_37: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_39: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_700_40: (a: number, b: number, c: number) => void;
@@ -13798,7 +13800,7 @@ export interface InitOutput {
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  readonly __wasm_bindgen_func_elem_709: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_711: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_713: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_713_2425: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_713_2426: (a: number, b: number, c: number) => void;
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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;
@@ -13817,18 +13819,18 @@ export interface InitOutput {
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  readonly __wasm_bindgen_func_elem_747: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_751: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_753: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_753_3367: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_753_3384: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_753_3409: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_753_3412: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_753_3419: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_753_3368: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_753_3385: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_753_3410: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_753_3413: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_753_3420: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_754: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_757: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_757_3366: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_757_3385: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_757_3387: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_757_3396: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_757_3404: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_757_3367: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_757_3386: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_757_3388: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_757_3397: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_757_3405: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_763: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_765: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_767: (a: number, b: number, c: number) => void;
@@ -13847,9 +13849,9 @@ export interface InitOutput {
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  readonly __wasm_bindgen_func_elem_799: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_801: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_803: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_803_3383: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_803_3384: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_804: (a: number, b: number, c: number) => void;
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- readonly __wasm_bindgen_func_elem_804_3400: (a: number, b: number, c: number) => void;
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+ readonly __wasm_bindgen_func_elem_804_3401: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_805: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_807: (a: number, b: number, c: number) => void;
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  readonly __wasm_bindgen_func_elem_809: (a: number, b: number, c: number) => void;