crunchflow.input.databases.aqueous.AqueousDatabase ================================================== .. py:class:: crunchflow.input.databases.aqueous.AqueousDatabase Standalone aqueous database with two entry types: - &Aqueous → Reaction stoichiometry (AqueousReaction) - &AqueousKinetics → Rate expressions (AqueousKinetics) This class includes a permissive parser/writer for the format seen in files like 'aqueous-BhavnaSep2015.dbs'. It aims to be intuitive to edit programmatically. .. !! processed by numpydoc !! .. py:method:: from_file(path: str) -> AqueousDatabase :classmethod: Instantiate and read an aqueous database from a file. .. !! processed by numpydoc !! .. py:method:: clear() -> None Clear all entries and reset source path. .. !! processed by numpydoc !! .. py:method:: read(path: str) -> None Read an aqueous kinetic database from a file. .. !! processed by numpydoc !! .. py:method:: write(path: str) -> None Write the aqueous database to a file. .. !! processed by numpydoc !! .. py:method:: __str__() -> str Print a summary of the aqueous database contents. Shows counts and previews up to a few &Aqueous and &AqueousKinetics entries. .. !! processed by numpydoc !!