@kent-tokyo/chematic 0.1.9 → 0.1.10

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.
@@ -17,13 +17,16 @@ export class DepictOptions {
17
17
  free(): void;
18
18
  [Symbol.dispose](): void;
19
19
  constructor();
20
+ set_atom_ids(v: boolean): void;
20
21
  set_background(bg: string): void;
21
22
  set_dark(dark: boolean): void;
22
23
  set_height(h: number): void;
23
24
  set_highlight_atoms(atoms: Uint32Array): void;
24
25
  set_highlight_bonds(bonds: Uint32Array): void;
25
26
  set_highlight_color(color: string): void;
27
+ set_kekulize(v: boolean): void;
26
28
  set_padding(p: number): void;
29
+ set_show_atom_indices(v: boolean): void;
27
30
  set_width(w: number): void;
28
31
  }
29
32
 
@@ -312,110 +315,3 @@ export function tanimoto_fcfp4(a: MolHandle, b: MolHandle): number;
312
315
  * Tanimoto similarity between two molecules using Topological Torsion fingerprints.
313
316
  */
314
317
  export function tanimoto_torsion(a: MolHandle, b: MolHandle): number;
315
-
316
- export type InitInput = RequestInfo | URL | Response | BufferSource | WebAssembly.Module;
317
-
318
- export interface InitOutput {
319
- readonly memory: WebAssembly.Memory;
320
- readonly __wbg_depictoptions_free: (a: number, b: number) => void;
321
- readonly __wbg_molhandle_free: (a: number, b: number) => void;
322
- readonly add_hydrogens: (a: number) => number;
323
- readonly brics_fragment_count: (a: number) => number;
324
- readonly depict_svg_grid: (a: number, b: number, c: number) => [number, number];
325
- readonly depictoptions_new: () => number;
326
- readonly depictoptions_set_background: (a: number, b: number, c: number) => void;
327
- readonly depictoptions_set_dark: (a: number, b: number) => void;
328
- readonly depictoptions_set_height: (a: number, b: number) => void;
329
- readonly depictoptions_set_highlight_atoms: (a: number, b: number, c: number) => void;
330
- readonly depictoptions_set_highlight_bonds: (a: number, b: number, c: number) => void;
331
- readonly depictoptions_set_highlight_color: (a: number, b: number, c: number) => void;
332
- readonly depictoptions_set_padding: (a: number, b: number) => void;
333
- readonly depictoptions_set_width: (a: number, b: number) => void;
334
- readonly ecfp4_bitvec: (a: number) => [number, number];
335
- readonly is_valid_smiles: (a: number, b: number) => number;
336
- readonly molhandle_aromatic_ring_count: (a: number) => number;
337
- readonly molhandle_atom_count: (a: number) => number;
338
- readonly molhandle_bertz_ct: (a: number) => number;
339
- readonly molhandle_bond_count: (a: number) => number;
340
- readonly molhandle_canonical_smiles: (a: number) => [number, number];
341
- readonly molhandle_chi0: (a: number) => number;
342
- readonly molhandle_chi0v: (a: number) => number;
343
- readonly molhandle_chi1: (a: number) => number;
344
- readonly molhandle_chi1v: (a: number) => number;
345
- readonly molhandle_chi2: (a: number) => number;
346
- readonly molhandle_chi2v: (a: number) => number;
347
- readonly molhandle_chi3: (a: number) => number;
348
- readonly molhandle_chi3v: (a: number) => number;
349
- readonly molhandle_chi4: (a: number) => number;
350
- readonly molhandle_chi4v: (a: number) => number;
351
- readonly molhandle_depict_svg: (a: number) => [number, number];
352
- readonly molhandle_depict_svg_opts: (a: number, b: number) => [number, number];
353
- readonly molhandle_egan_passes: (a: number) => number;
354
- readonly molhandle_exact_mass: (a: number) => number;
355
- readonly molhandle_formal_charge_sum: (a: number) => number;
356
- readonly molhandle_formula: (a: number) => [number, number];
357
- readonly molhandle_fsp3: (a: number) => number;
358
- readonly molhandle_ghose_passes: (a: number) => number;
359
- readonly molhandle_hba_count: (a: number) => number;
360
- readonly molhandle_hbd_count: (a: number) => number;
361
- readonly molhandle_heavy_atom_count: (a: number) => number;
362
- readonly molhandle_kappa1: (a: number) => number;
363
- readonly molhandle_kappa2: (a: number) => number;
364
- readonly molhandle_kappa3: (a: number) => number;
365
- readonly molhandle_labute_asa: (a: number) => number;
366
- readonly molhandle_lipinski_passes: (a: number) => number;
367
- readonly molhandle_logp_crippen: (a: number) => number;
368
- readonly molhandle_molar_refractivity: (a: number) => number;
369
- readonly molhandle_molecular_weight: (a: number) => number;
370
- readonly molhandle_morgan_fp_counts_json: (a: number, b: number) => [number, number];
371
- readonly molhandle_num_aliphatic_heterocycles: (a: number) => number;
372
- readonly molhandle_num_aromatic_heterocycles: (a: number) => number;
373
- readonly molhandle_num_bridgehead_atoms: (a: number) => number;
374
- readonly molhandle_num_heteroatoms: (a: number) => number;
375
- readonly molhandle_num_saturated_heterocycles: (a: number) => number;
376
- readonly molhandle_num_spiro_atoms: (a: number) => number;
377
- readonly molhandle_num_stereocenters: (a: number) => number;
378
- readonly molhandle_pains_passes: (a: number) => number;
379
- readonly molhandle_qed: (a: number) => number;
380
- readonly molhandle_reos_passes: (a: number) => number;
381
- readonly molhandle_ring_count: (a: number) => number;
382
- readonly molhandle_rotatable_bond_count: (a: number) => number;
383
- readonly molhandle_tpsa: (a: number) => number;
384
- readonly molhandle_veber_passes: (a: number) => number;
385
- readonly molhandle_wiener_index: (a: number) => number;
386
- readonly parse_smiles: (a: number, b: number) => [number, number, number];
387
- readonly remove_hydrogens: (a: number) => number;
388
- readonly run_reactants: (a: number, b: number, c: number, d: number) => [number, number, number, number];
389
- readonly tanimoto_atom_pair: (a: number, b: number) => number;
390
- readonly tanimoto_ecfp4: (a: number, b: number) => number;
391
- readonly tanimoto_fcfp4: (a: number, b: number) => number;
392
- readonly tanimoto_torsion: (a: number, b: number) => number;
393
- readonly __wbindgen_externrefs: WebAssembly.Table;
394
- readonly __wbindgen_malloc: (a: number, b: number) => number;
395
- readonly __wbindgen_realloc: (a: number, b: number, c: number, d: number) => number;
396
- readonly __wbindgen_free: (a: number, b: number, c: number) => void;
397
- readonly __externref_table_dealloc: (a: number) => void;
398
- readonly __wbindgen_start: () => void;
399
- }
400
-
401
- export type SyncInitInput = BufferSource | WebAssembly.Module;
402
-
403
- /**
404
- * Instantiates the given `module`, which can either be bytes or
405
- * a precompiled `WebAssembly.Module`.
406
- *
407
- * @param {{ module: SyncInitInput }} module - Passing `SyncInitInput` directly is deprecated.
408
- *
409
- * @returns {InitOutput}
410
- */
411
- export function initSync(module: { module: SyncInitInput } | SyncInitInput): InitOutput;
412
-
413
- /**
414
- * If `module_or_path` is {RequestInfo} or {URL}, makes a request and
415
- * for everything else, calls `WebAssembly.instantiate` directly.
416
- *
417
- * @param {{ module_or_path: InitInput | Promise<InitInput> }} module_or_path - Passing `InitInput` directly is deprecated.
418
- *
419
- * @returns {Promise<InitOutput>}
420
- */
421
- export default function __wbg_init (module_or_path?: { module_or_path: InitInput | Promise<InitInput> } | InitInput | Promise<InitInput>): Promise<InitOutput>;