Text.Molfile.Writer

Definitions

putMol : {default V2000 _ : MolVersion} -> Builder q => MolLine -> MolLine -> MolLine -> MolGraph' h t c -> F1' q

  Writes a molecular graph plus header line in mol format to the
  given string builder.
  
  The given `version` is used for the format unless the molecul is
  very large (more than 999 atoms or bonds), in which case V3000 *has*
  to be used.

Totality: total
Visibility: export

putSDF : {default V2000 _ : MolVersion} -> Builder q => Molfile' h t c -> F1' q

Totality: total
Visibility: export

writeMolfile : {default V2000 _ : MolVersion} -> Molfile' h t c -> String

  Converts a molecular graph to a string in mol format.
  
  The given `version` is used for the format unless the molecul is
  very large (more than 999 atoms or bonds), in which case V3000 *has*
  to be used.

Totality: total
Visibility: export

writeSDFile : {default V2000 _ : MolVersion} -> Molfile' h t c -> String

Totality: total
Visibility: export

writeSDF : {default V2000 _ : MolVersion} -> List (Molfile' h t c) -> String

Totality: total
Visibility: export