chemist-preprocessor-0.1.0.0: Chemist Raw Data Preprocessor
Safe HaskellSafe-Inferred
LanguageHaskell2010

Domain.Converter.Units.ToRawReactionDetails

Synopsis

Documentation

toRawReactionDetails :: ReactionDetails -> IO RawReactionDetailsMask #

Converts a ReactionDetails structure into a RawReactionDetailsMask. Extracts the relevant node and relationship masks from the reaction details, mapping the interactants (reagents, products, and catalysts) and reaction conditions into raw representations that are suitable for database storage.

Parameters:

  • ReactionDetails - the details of the reaction, including interactants and conditions.

Returns: