noctis.data_transformation.preprocessing.core_graph_builder.ValidatedStringBuilder

class noctis.data_transformation.preprocessing.core_graph_builder.ValidatedStringBuilder(input_format: str, output_format: str)

Processor to handle reaction strings with cheminformatics validation.

Attributes:

input_format (str): Format of the input reaction string. output_format (str): Format for the output reaction string. mol_to_string (Callable): Function to convert molecule to string in the output format.

__init__(input_format: str, output_format: str)

Methods

__init__(input_format, output_format)
process(reaction_data)	Process a reaction string with validation into nodes and relationships.