mol2.ts 783 B

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  1. /**
  2. * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
  3. *
  4. * @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
  5. */
  6. import { Mol2Encoder } from './mol2/encoder';
  7. import { Encoder } from './cif/encoder';
  8. export namespace Mol2Writer {
  9. export interface EncoderParams {
  10. encoderName?: string,
  11. // whether to write ModelServer meta-information (query & params)
  12. metaInformation?: boolean,
  13. // whether to write hydrogen atoms
  14. hydrogens?: boolean
  15. }
  16. export function createEncoder(params?: EncoderParams): Encoder {
  17. const { encoderName = 'mol*', metaInformation = true, hydrogens = true } = params || {};
  18. return new Mol2Encoder(encoderName, metaInformation, hydrogens);
  19. }
  20. }