chemist-preprocessor-0.1.0.0: Chemist Raw Data Preprocessor
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Domain.Converter.Units.ToReactionDetails

Synopsis

Documentation

toReactionDetails :: (RawReactionDetails, Maybe MechanismNode) -> IO (ReactionDetails, Maybe MechanismID) #

Converts raw reaction details retrieved from the database into a structured format of ReactionDetails. This function processes the reaction, reagents, products, inbound and outbound relationships, catalysts, and acceleration factors, and also processes an optional mechanism if one is associated with the reaction.

Parameters:

  • (RawReactionDetails, Maybe MechanismNode) - The raw reaction details and optional mechanism node.

Returns:

  • A tuple of ReactionDetails and an optional MechanismID, representing the reaction's details and an associated mechanism ID, if applicable.