echemdb / unitpackage

A Python library to interact with a collection of frictionless datapackages
https://echemdb.github.io/unitpackage/
GNU General Public License v3.0
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Filter electrolyte components for specific ions #8

Open DunklesArchipel opened 2 years ago

DunklesArchipel commented 2 years ago

In certain cases, it would be interesting to filter the components for specific ions. Presumably, these can be extracted from the list of components and do not have to be included as a separate entry somewhere in the electrochemical system descriptors.

you could filter all components or specify to only filter specific component types, such as salt or solvent.

A key task is to extract the ions from the name of the chemicals. Maybe these can be inferred from the CID (which is done to so some extent in https://github.com/echemdb/svgdigitizer/pull/94)