Parsers Module

This module contains functions for parsing molecular file formats.

parse_sdf(src: str, include_hs: bool = True) → Tuple[List[Atom], List[Bond]][source]

Parse first molecule from SDF file format.

Parameters:

  • src (str) – SDF file content.

  • include_hs (bool) – Include hydrogens.

Returns:

Atoms and bonds.

Return type:

ty.Tuple[ty.List[Atom], ty.List[Bond]]