mol.ts 636 B

123456789101112131415161718192021
  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 { MolEncoder } from './mol/encoder';
  7. import { Encoder } from './cif/encoder';
  8. export namespace MolWriter {
  9. export interface EncoderParams {
  10. encoderName?: string,
  11. // whether to write hydrogen atoms
  12. hydrogens?: boolean
  13. }
  14. export function createEncoder(params?: EncoderParams): Encoder {
  15. const { encoderName = 'mol*', hydrogens = true } = params || {};
  16. return new MolEncoder(encoderName, false, hydrogens);
  17. }
  18. }