dachs.reagent

A dataclass for specifying a Reagent, Reagentmixture or Product.

Classes

Chemical([ID, ChemicalName, ...])

Base chemistry which underpins both Reagents and Products

Mixture([ID, MixtureName, Description, ...])

This class supersedes the ReagentMixture class, and allows Mixtures of Reagents as well as Mixtures of Mixtures.

Product([ID, Chemical, Mass, Purity, ...])

Defines a chemical Product as having a chemical structure, with a target mass (100% conversion) and an actual mass.

Reagent([ID, Chemical, CASNumber, Brand, ...])