Text.Molfile.Parser

Reexports

Definitions

ctab : P1 q (BBErr MolErr) (List Molfile)

  A parser for CTab file formats. Can read V2000 and V3000 mol
  and SD files. Suitable for streaming large amounts of data.

Totality: total
Visibility: public export

readMolFrom : Has (ParseError MolErr) es => Origin -> String -> ChemRes es Molfile

  Reads a single `Molfile` entry from a string.
  
  The entry can be either in V2000 or V3000 format or a mixture of both.
  
  Accepts strings that end with an option SD block
  and optional SD delimiter (`"$$$$"`).

Totality: total
Visibility: export

readMol : Has (ParseError MolErr) es => String -> ChemRes es Molfile

  Convenience alias for `readMolFrom Virtual`.

Totality: total
Visibility: export

readSDFFrom : Has (ParseError MolErr) es => Origin -> String -> ChemRes es (List Molfile)

  Reads a list of SD entries from a string.
  
  The entries can be either in V2000 or V3000 format or a mixture of both.

Totality: total
Visibility: export

readSDF : Has (ParseError MolErr) es => String -> ChemRes es (List Molfile)

  Convenience alias for `readSDFFrom Virtual`.

Totality: total
Visibility: export